1-[3-(diethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C28H39N6O+ MolecularWeight: 475.64886

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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)NCCCN(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H39N6O/c1-6-32(7-2)17-11-16-31-34(9-4)27-25(33(8-3)28(34)35)15-14-24(22-13-10-12-21(5)18-22)26(27)23-19-29-30-20-23/h10,12-15,18-20,31H,6-9,11,16-17H2,1-5H3,(H,29,30)/q+1