1,3-diethyl-7-(1H-imidazol-5-yl)-6-(3-methylphenyl)-1-[1-(phenylmethyl)pyrrolidin-3-yl]benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-7-(1H-imidazol-5-yl)-6-(3-methylphenyl)-1-[1-(phenylmethyl)pyrrolidin-3-yl]benzimidazol-1-ium-2-one Openeye Name: 1-(1-benzylpyrrolidin-3-yl)-1,3-diethyl-7-(1H-imidazol-5-yl)-6-(m-tolyl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-7-(1H-imidazol-5-yl)-6-(3-methylphenyl)-1-[1-(phenylmethyl)-3-pyrrolidinyl]-2-benzimidazol-1-iumone IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-1,3-diethyl-7-(1H-imidazol-5-yl)-6-(3-methylphenyl)benzimidazol-1-ium-2-one Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-1,3-diethyl-7-(1H-imidazol-5-yl)-6-(m-tolyl)benzimidazol-1-ium-2-one Formula: C32H36N5O+ MolecularWeight: 506.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CN=CN4)[N+](C1=O)(CC)C5CCN(C5)CC6=CC=CC=C6

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CN=CN4)[N+](C1=O)(CC)C5CCN(C5)CC6=CC=CC=C6

InChI

InChI=1S/C32H36N5O/c1-4-36-29-15-14-27(25-13-9-10-23(3)18-25)30(28-19-33-22-34-28)31(29)37(5-2,32(36)38)26-16-17-35(21-26)20-24-11-7-6-8-12-24/h6-15,18-19,22,26H,4-5,16-17,20-21H2,1-3H3,(H,33,34)/q+1