3,7-diethyl-1-(2-morpholin-4-ylethylamino)-6-phenyl-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 3,7-diethyl-1-(2-morpholin-4-ylethylamino)-6-phenyl-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 3,7-diethyl-1-(2-morpholinoethylamino)-6-phenyl-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 3,7-diethyl-1-[2-(4-morpholinyl)ethylamino]-6-phenyl-1-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 3,7-diethyl-1-(2-morpholin-4-ylethylamino)-6-phenyl-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 3,7-diethyl-1-(2-morpholinoethylamino)-6-phenyl-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C26H33N6O2+ MolecularWeight: 461.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1[N+](C(=O)N2CC)(C3=CNN=C3)NCCN4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=CC2=C1[N+](C(=O)N2CC)(C3=CNN=C3)NCCN4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H33N6O2/c1-3-22-23(20-8-6-5-7-9-20)10-11-24-25(22)32(21-18-27-28-19-21,26(33)31(24)4-2)29-12-13-30-14-16-34-17-15-30/h5-11,18-19,29H,3-4,12-17H2,1-2H3,(H,27,28)/q+1