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

Systemtic Name: 2-dimethylaminoethyl-[2-[4-[(3-methoxycarbonyl-4-nitro-phenyl)methoxycarbonyl-methyl-amino]phenyl]ethanoyl]azanium chloride Openeye Name: 2-dimethylaminoethyl-[2-[4-[(3-methoxycarbonyl-4-nitro-phenyl)methoxycarbonyl-methyl-amino]phenyl]acetyl]ammonium chloride CAS Name: 2-dimethylaminoethyl-[2-[4-[[(3-methoxycarbonyl-4-nitrophenyl)methoxy-oxomethyl]-methylamino]phenyl]-1-oxoethyl]ammonium chloride IUPAC Name: 2-dimethylaminoethyl-[2-[4-[(3-methoxycarbonyl-4-nitrophenyl)methoxycarbonyl-methylamino]phenyl]acetyl]azanium chloride Traditional Name: [2-[4-[(3-carbomethoxy-4-nitro-benzyl)oxycarbonyl-methyl-amino]phenyl]acetyl]-(2-dimethylaminoethyl)ammonium chloride Formula: C23H29ClN4O7 MolecularWeight: 508.95196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(=O)CC1=CC=C(C=C1)N(C)C(=O)OCC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC.[Cl-]

Isomeric SMILES

CN(C)CC[NH2+]C(=O)CC1=CC=C(C=C1)N(C)C(=O)OCC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC.[Cl-]

InChI

InChI=1S/C23H28N4O7.ClH/c1-25(2)12-11-24-21(28)14-16-5-8-18(9-6-16)26(3)23(30)34-15-17-7-10-20(27(31)32)19(13-17)22(29)33-4;/h5-10,13H,11-12,14-15H2,1-4H3,(H,24,28);1H