[(1S)-1-[1-[(4-cyanophenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]butyl]azanium

Systemtic Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]butyl]azanium Openeye Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]butyl]ammonium CAS Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]-5,6-dimethoxy-2-benzimidazolyl]butyl]ammonium IUPAC Name: [(1S)-1-[1-[(4-cyanophenyl)methyl]-5,6-dimethoxybenzimidazol-2-yl]butyl]azanium Traditional Name: [(1S)-1-[1-(4-cyanobenzyl)-5,6-dimethoxy-benzimidazol-2-yl]butyl]ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)C#N)OC)OC)[NH3+]

Isomeric SMILES

CCC[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=C(C=C3)C#N)OC)OC)[NH3+]

InChI

InChI=1S/C21H24N4O2/c1-4-5-16(23)21-24-17-10-19(26-2)20(27-3)11-18(17)25(21)13-15-8-6-14(12-22)7-9-15/h6-11,16H,4-5,13,23H2,1-3H3/p+1/t16-/m0/s1