Molecule ID: 146014737

IUPAC Name: (1R,15R,17S,18S)-17-ethyl-3-aza-13-azoniapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene

Description: The molecule is a tertiary ammonium ion resulting from the protonation of the tertiary amino group of ibogamine. It is the major microspecies at pH 7.3. It is a conjugate acid of an ibogamine.

SMILES: CC[C@H]1C[C@@H]2C[C@H]3C4=C(CCN(C2)[C@@H]13)c1ccccc1[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][=C][C][=C][Ring1][=Branch1][NH2+1][Ring1][=C]

InChI: InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/p+1/t12-,13+,16+,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.9