1,3-diethyl-5-(3-methylphenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-5-(3-methylphenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-5-(m-tolyl)-1-[2-oxo-2-(1-piperidyl)ethyl]-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-5-(3-methylphenyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-4-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-5-(3-methylphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-1-(2-keto-2-piperidino-ethyl)-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C28H34N5O2+ MolecularWeight: 472.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)CC(=O)N5CCCCC5

Isomeric SMILES

CCN1C2=C(C=CC(=C2C3=CNN=C3)C4=CC(=CC=C4)C)[N+](C1=O)(CC)CC(=O)N5CCCCC5

InChI

InChI=1S/C28H34N5O2/c1-4-32-27-24(33(5-2,28(32)35)19-25(34)31-14-7-6-8-15-31)13-12-23(21-11-9-10-20(3)16-21)26(27)22-17-29-30-18-22/h9-13,16-18H,4-8,14-15,19H2,1-3H3,(H,29,30)/q+1