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

Systemtic Name: 1,3-diethyl-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-5-(m-tolyl)-4-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)-1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-5-(m-tolyl)-4-(1H-pyrazol-4-yl)-1-(2-pyrrolidinoethyl)benzimidazol-1-ium-2-one Formula: C27H34N5O+ MolecularWeight: 444.59176

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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)CCN5CCCC5

Isomeric SMILES

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)CCN5CCCC5

InChI

InChI=1S/C27H34N5O/c1-4-31-26-24(32(5-2,27(31)33)16-15-30-13-6-7-14-30)12-11-23(21-10-8-9-20(3)17-21)25(26)22-18-28-29-19-22/h8-12,17-19H,4-7,13-16H2,1-3H3,(H,28,29)/q+1