2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-indol-3-ylmethyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-indol-3-ylmethyl)-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-methylazanium Traditional Name: homoveratryl-[(3S)-1-(1H-indol-3-ylmethyl)-3-piperidyl]-methyl-ammonium Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H33N3O2/c1-27(14-12-19-10-11-24(29-2)25(15-19)30-3)21-7-6-13-28(18-21)17-20-16-26-23-9-5-4-8-22(20)23/h4-5,8-11,15-16,21,26H,6-7,12-14,17-18H2,1-3H3/p+1/t21-/m0/s1