2-[2-azanyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[2-oxo-2-(p-tolyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[2-(4-methylphenyl)-2-oxoethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[2-keto-2-(p-tolyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O/c1-4-24(5-2)14-15-25-19-8-6-7-9-20(19)26(22(25)23)16-21(27)18-12-10-17(3)11-13-18/h6-13,23H,4-5,14-16H2,1-3H3/p+2