1,3-diethyl-5-(3-methylphenyl)-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-5-(3-methylphenyl)-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-5-(m-tolyl)-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-5-(3-methylphenyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-5-(3-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-1-(2-keto-2-pyrrolidino-ethyl)-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)CC(=O)N5CCCC5

Isomeric SMILES

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)CC(=O)N5CCCC5

InChI

InChI=1S/C27H32N5O2/c1-4-31-26-23(32(5-2,27(31)34)18-24(33)30-13-6-7-14-30)12-11-22(20-10-8-9-19(3)15-20)25(26)21-16-28-29-17-21/h8-12,15-17H,4-7,13-14,18H2,1-3H3,(H,28,29)/q+1