methyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]-bis[3-[(9-methylphenazin-1-yl)carbonylamino]propyl]azanium

Systemtic Name: methyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]-bis[3-[(9-methylphenazin-1-yl)carbonylamino]propyl]azanium Openeye Name: methyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]ammonium CAS Name: methyl-[(1-methyl-5-nitro-2-pyrrolyl)methyl]-bis[3-[[(9-methyl-1-phenazinyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium Traditional Name: methyl-[(1-methyl-5-nitro-pyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]ammonium Formula: C41H42N9O4+ MolecularWeight: 724.83008

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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=CC=C(N7C)[N+](=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=CC=C(N7C)[N+](=O)[O-]

InChI

InChI=1S/C41H41N9O4/c1-26-11-5-15-31-36(26)46-38-29(13-7-17-33(38)44-31)40(51)42-21-9-23-50(4,25-28-19-20-35(48(28)3)49(53)54)24-10-22-43-41(52)30-14-8-18-34-39(30)47-37-27(2)12-6-16-32(37)45-34/h5-8,11-20H,9-10,21-25H2,1-4H3,(H-,42,43,51,52)/p+1