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

Systemtic Name: 1,3-diethyl-5-(3-methylphenyl)-1-(2-morpholin-4-ylethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-1-(2-morpholinoethyl)-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-5-(3-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-4-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-5-(3-methylphenyl)-1-(2-morpholin-4-ylethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-1-(2-morpholinoethyl)-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C27H34N5O2+ MolecularWeight: 460.59116

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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)CCN5CCOCC5

Isomeric SMILES

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)CCN5CCOCC5

InChI

InChI=1S/C27H34N5O2/c1-4-31-26-24(32(5-2,27(31)33)14-11-30-12-15-34-16-13-30)10-9-23(21-8-6-7-20(3)17-21)25(26)22-18-28-29-19-22/h6-10,17-19H,4-5,11-16H2,1-3H3,(H,28,29)/q+1