Molecule ID: 146014738

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

Description: The molecule is a tertiary ammonium ion resulting from the protonation of the tertiary amino group of noribogaine. It is a conjugate acid of a noribogaine.

SMILES: CC[C@H]1C[C@@H]2C[C@H]3C4=C(CCN(C2)[C@@H]13)c1cc(O)ccc1[NH2+]4

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

InChI: InChI=1S/C19H24N2O/c1-2-12-7-11-8-16-18-14(5-6-21(10-11)19(12)16)15-9-13(22)3-4-17(15)20-18/h3-4,9,11-12,16,19-20,22H,2,5-8,10H2,1H3/p+1/t11-,12+,16+,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 3.6