2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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+1