[(1S)-2-(benzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(benzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-(benzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-(1-benzimidazolyl)-1-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(benzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-(benzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethyl]ammonium Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2C=NC3=CC=CC=C32)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2C=NC3=CC=CC=C32)[NH3+])OC

InChI

InChI=1S/C17H19N3O2/c1-21-16-8-7-12(9-17(16)22-2)13(18)10-20-11-19-14-5-3-4-6-15(14)20/h3-9,11,13H,10,18H2,1-2H3/p+1/t13-/m1/s1