2-azanylethanoyl-[2-butyl-3-[(2-methyl-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-dimethyl-azanium

Systemtic Name: 2-azanylethanoyl-[2-butyl-3-[(2-methyl-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-dimethyl-azanium Openeye Name: (2-aminoacetyl)-[2-butyl-3-[(2-methyl-3-phenyl-phenyl)methyl]benzimidazol-5-yl]-dimethyl-ammonium CAS Name: (2-amino-1-oxoethyl)-[2-butyl-3-[(2-methyl-3-phenylphenyl)methyl]-5-benzimidazolyl]-dimethylammonium IUPAC Name: (2-aminoacetyl)-[2-butyl-3-[(2-methyl-3-phenylphenyl)methyl]benzimidazol-5-yl]-dimethylazanium Traditional Name: [2-butyl-3-(2-methyl-3-phenyl-benzyl)benzimidazol-5-yl]-glycyl-dimethyl-ammonium Formula: C29H35N4O+ MolecularWeight: 455.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C)C4=CC=CC=C4)C=C(C=C2)[N+](C)(C)C(=O)CN

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C)C4=CC=CC=C4)C=C(C=C2)[N+](C)(C)C(=O)CN

InChI

InChI=1S/C29H35N4O/c1-5-6-15-28-31-26-17-16-24(33(3,4)29(34)19-30)18-27(26)32(28)20-23-13-10-14-25(21(23)2)22-11-8-7-9-12-22/h7-14,16-18H,5-6,15,19-20,30H2,1-4H3/q+1