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

Systemtic Name: 1,3-diethyl-1-(3-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-diethyl-5-(2-morpholinoethyl)-1-(m-tolyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-diethyl-1-(3-methylphenyl)-5-[2-(4-morpholinyl)ethyl]-3-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-diethyl-1-(3-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1,3-diethyl-5-(2-morpholinoethyl)-1-(m-tolyl)-3-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C27H35N5O2+2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C(C=C2)CCN3CCOCC3)[N+](C1=O)(CC)C4=CNN=C4)C5=CC=CC(=C5)C

Isomeric SMILES

CC[N+]1(C2=C(C=C(C=C2)CCN3CCOCC3)[N+](C1=O)(CC)C4=CNN=C4)C5=CC=CC(=C5)C

InChI

InChI=1S/C27H35N5O2/c1-4-31(23-8-6-7-21(3)17-23)25-10-9-22(11-12-30-13-15-34-16-14-30)18-26(25)32(5-2,27(31)33)24-19-28-29-20-24/h6-10,17-20H,4-5,11-16H2,1-3H3,(H,28,29)/q+2