3-[2-azanylethyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide

Systemtic Name: 3-[2-azanylethyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Openeye Name: 3-[2-aminoethyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide CAS Name: 3-[2-aminoethyl(methyl)amino]-3-phenyl-4-benzimidazol-3-iumcarboxamide IUPAC Name: 3-[2-aminoethyl(methyl)amino]-3-phenylbenzimidazol-3-ium-4-carboxamide Traditional Name: 3-[2-aminoethyl(methyl)amino]-3-phenyl-benzimidazol-3-ium-4-carboxamide Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN)[N+]1(C=NC2=CC=CC(=C21)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CN(CCN)[N+]1(C=NC2=CC=CC(=C21)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O/c1-21(11-10-18)22(13-6-3-2-4-7-13)12-20-15-9-5-8-14(16(15)22)17(19)23/h2-9,12H,10-11,18H2,1H3,(H-,19,23)/p+1