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

Systemtic Name: [(1S)-1-[5,6-dimethoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butyl]azanium Openeye Name: [(1S)-1-[5,6-dimethoxy-1-(o-tolylmethyl)benzimidazol-2-yl]butyl]ammonium CAS Name: [(1S)-1-[5,6-dimethoxy-1-[(2-methylphenyl)methyl]-2-benzimidazolyl]butyl]ammonium IUPAC Name: [(1S)-1-[5,6-dimethoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butyl]azanium Traditional Name: [(1S)-1-[5,6-dimethoxy-1-(2-methylbenzyl)benzimidazol-2-yl]butyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3C)OC)OC)[NH3+]

Isomeric SMILES

CCC[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3C)OC)OC)[NH3+]

InChI

InChI=1S/C21H27N3O2/c1-5-8-16(22)21-23-17-11-19(25-3)20(26-4)12-18(17)24(21)13-15-10-7-6-9-14(15)2/h6-7,9-12,16H,5,8,13,22H2,1-4H3/p+1/t16-/m0/s1