Molecule ID: 146014735

IUPAC Name: methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3-aza-13-azoniapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

Description: The molecule is a tertiary ammonium ion resulting from the protonation of the tertiary amino group of 10-hydroxycoronaridine. The major species at pH 7.3. It is a conjugate acid of a 10-hydroxycoronaridine.

SMILES: CC[C@H]1C[C@H]2CN3CCC4=C([NH2+]c5ccc(O)cc54)[C@](C(=O)OC)(C2)[C@H]13

SELFIES: [C][C][C@H1][C][C@H1][C][N][C][C][C][=C][Branch1][#C][NH2+1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][#Branch2][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]

InChI: InChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-23(11-12)19(13)21)16-9-14(24)4-5-17(16)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/p+1/t12-,13+,19+,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.2