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

Systemtic Name: 2-[2-azanyl-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[2-oxo-2-(4-phenylphenyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[2-oxo-2-(4-phenylphenyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[2-keto-2-(4-phenylphenyl)ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C27H32N4O+2 MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O/c1-3-29(4-2)18-19-30-24-12-8-9-13-25(24)31(27(30)28)20-26(32)23-16-14-22(15-17-23)21-10-6-5-7-11-21/h5-17,28H,3-4,18-20H2,1-2H3/p+2