Molecule ID: 86289289

IUPAC Name: (1R,9R,10S,12R,13S,14R,17S,18R)-13-ethyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

Description: The molecule is an organic cation obtained by protonation of the tertiary amino group of norajmaline; major structure at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a norajmaline.

SMILES: CC[C@H]1[C@@H]2C[C@H]3[C@@H]4[NH2+]c5ccccc5[C@]45CC([C@H]2[C@H]5O)N3[C@@H]1O

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

InChI: InChI=1S/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3/p+1/t9-,10-,13-,14?,15-,16-,17+,18+,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 56.9 Ų
- LogP: 1.7