methyl-[(3-methyl-5-nitro-imidazol-4-yl)methyl]-bis[3-[(9-methylphenazin-1-yl)carbonylamino]propyl]azanium ethanoate

Systemtic Name: methyl-[(3-methyl-5-nitro-imidazol-4-yl)methyl]-bis[3-[(9-methylphenazin-1-yl)carbonylamino]propyl]azanium ethanoate Openeye Name: methyl-[(3-methyl-5-nitro-imidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]ammonium acetate CAS Name: methyl-[(3-methyl-5-nitro-4-imidazolyl)methyl]-bis[3-[[(9-methyl-1-phenazinyl)-oxomethyl]amino]propyl]ammonium acetate IUPAC Name: methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium acetate Traditional Name: methyl-[(3-methyl-5-nitro-imidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]ammonium acetate Formula: C42H44N10O6 MolecularWeight: 784.86216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC3=CC=CC(=C3N=C12)C(=O)NCCC[N+](C)(CCCNC(=O)C4=C5C(=CC=C4)N=C6C=CC=C(C6=N5)C)CC7=C(N=CN7C)[N+](=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC2=NC3=CC=CC(=C3N=C12)C(=O)NCCC[N+](C)(CCCNC(=O)C4=C5C(=CC=C4)N=C6C=CC=C(C6=N5)C)CC7=C(N=CN7C)[N+](=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C40H40N10O4.C2H4O2/c1-25-11-5-15-29-34(25)46-36-27(13-7-17-31(36)44-29)39(51)41-19-9-21-50(4,23-33-38(49(53)54)43-24-48(33)3)22-10-20-42-40(52)28-14-8-18-32-37(28)47-35-26(2)12-6-16-30(35)45-32;1-2(3)4/h5-8,11-18,24H,9-10,19-23H2,1-4H3,(H-,41,42,51,52);1H3,(H,3,4)