5-[[3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-1-(3-phenylpropyl)imidazo[4,5-c]pyridin-5-ium-2-olate

Systemtic Name: 5-[[3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-1-(3-phenylpropyl)imidazo[4,5-c]pyridin-5-ium-2-olate Openeye Name: 5-[[3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(3-morpholinopropylamino)benzimidazol-5-yl]methyl]-1-(3-phenylpropyl)imidazo[4,5-c]pyridin-5-ium-2-olate CAS Name: 5-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-morpholinyl)propylamino]-5-benzimidazolyl]methyl]-1-(3-phenylpropyl)-2-imidazo[4,5-c]pyridin-5-iumolate IUPAC Name: 5-[[3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-1-(3-phenylpropyl)imidazo[4,5-c]pyridin-5-ium-2-olate Traditional Name: 5-[[3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(3-morpholinopropylamino)benzimidazol-5-yl]methyl]-1-(3-phenylpropyl)imidazo[4,5-c]pyridin-5-ium-2-olate Formula: C37H42N8O3 MolecularWeight: 646.78118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)O)CN2C3=C(C=CC(=C3)C[N+]4=CC5=C(C=C4)N(C(=N5)[O-])CCCC6=CC=CC=C6)N=C2NCCCN7CCOCC7

Isomeric SMILES

CC1=NC(=C(C=C1)O)CN2C3=C(C=CC(=C3)C[N+]4=CC5=C(C=C4)N(C(=N5)[O-])CCCC6=CC=CC=C6)N=C2NCCCN7CCOCC7

InChI

InChI=1S/C37H42N8O3/c1-27-10-13-35(46)32(39-27)26-45-34-23-29(11-12-30(34)40-36(45)38-15-6-16-42-19-21-48-22-20-42)24-43-18-14-33-31(25-43)41-37(47)44(33)17-5-9-28-7-3-2-4-8-28/h2-4,7-8,10-14,18,23,25H,5-6,9,15-17,19-22,24,26H2,1H3,(H2-,38,40,41,46,47)