2-dimethylaminoethyl-[2-[4-[methyl-[[3-(methylamino)-4-nitro-phenyl]methoxycarbonyl]amino]phenyl]ethanoyl]azanium chloride

Systemtic Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-(methylamino)-4-nitro-phenyl]methoxycarbonyl]amino]phenyl]ethanoyl]azanium chloride Openeye Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-(methylamino)-4-nitro-phenyl]methoxycarbonyl]amino]phenyl]acetyl]ammonium chloride CAS Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-(methylamino)-4-nitrophenyl]methoxy-oxomethyl]amino]phenyl]-1-oxoethyl]ammonium chloride IUPAC Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-(methylamino)-4-nitrophenyl]methoxycarbonyl]amino]phenyl]acetyl]azanium chloride Traditional Name: 2-dimethylaminoethyl-[2-[4-[methyl-[3-(methylamino)-4-nitro-benzyl]oxycarbonyl-amino]phenyl]acetyl]ammonium chloride Formula: C22H30ClN5O5 MolecularWeight: 479.9571

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)COC(=O)N(C)C2=CC=C(C=C2)CC(=O)[NH2+]CCN(C)C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CNC1=C(C=CC(=C1)COC(=O)N(C)C2=CC=C(C=C2)CC(=O)[NH2+]CCN(C)C)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C22H29N5O5.ClH/c1-23-19-13-17(7-10-20(19)27(30)31)15-32-22(29)26(4)18-8-5-16(6-9-18)14-21(28)24-11-12-25(2)3;/h5-10,13,23H,11-12,14-15H2,1-4H3,(H,24,28);1H