1,3-diethyl-6-(3-methylphenyl)-1-(2-morpholin-4-ylethylamino)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-6-(3-methylphenyl)-1-(2-morpholin-4-ylethylamino)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-1-(2-morpholinoethylamino)-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-6-(3-methylphenyl)-1-[2-(4-morpholinyl)ethylamino]-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-6-(3-methylphenyl)-1-(2-morpholin-4-ylethylamino)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-1-(2-morpholinoethylamino)-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C27H35N6O2+ MolecularWeight: 475.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CNN=C4)[N+](C1=O)(CC)NCCN5CCOCC5

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CNN=C4)[N+](C1=O)(CC)NCCN5CCOCC5

InChI

InChI=1S/C27H35N6O2/c1-4-32-24-10-9-23(21-8-6-7-20(3)17-21)25(22-18-28-29-19-22)26(24)33(5-2,27(32)34)30-11-12-31-13-15-35-16-14-31/h6-10,17-19,30H,4-5,11-16H2,1-3H3,(H,28,29)/q+1