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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC(=C2[N+](C1=O)(CC)C3=CC=CC(=C3)C)C4=CNN=C4)CCN5CCOCC5

Isomeric SMILES

CC[N+]1(C2=CC=CC(=C2[N+](C1=O)(CC)C3=CC=CC(=C3)C)C4=CNN=C4)CCN5CCOCC5

InChI

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