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

Systemtic Name: 3,7-dimethyl-1-(3-methylphenyl)-1-(3-morpholin-4-ylpropylamino)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 3,7-dimethyl-1-(3-morpholinopropylamino)-1-(m-tolyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 3,7-dimethyl-1-(3-methylphenyl)-1-[3-(4-morpholinyl)propylamino]-6-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 3,7-dimethyl-1-(3-methylphenyl)-1-(3-morpholin-4-ylpropylamino)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 3,7-dimethyl-1-(3-morpholinopropylamino)-1-(m-tolyl)-6-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C26H33N6O2+ MolecularWeight: 461.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C)C4=CNN=C4)N(C2=O)C)NCCCN5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2(C3=C(C=CC(=C3C)C4=CNN=C4)N(C2=O)C)NCCCN5CCOCC5

InChI

InChI=1S/C26H33N6O2/c1-19-6-4-7-22(16-19)32(29-10-5-11-31-12-14-34-15-13-31)25-20(2)23(21-17-27-28-18-21)8-9-24(25)30(3)26(32)33/h4,6-9,16-18,29H,5,10-15H2,1-3H3,(H,27,28)/q+1