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

Systemtic Name: 2-dimethylaminoethyl-[2-[4-[(2-methoxy-4-nitro-phenyl)methoxycarbonyl-methyl-amino]phenyl]ethanoyl]azanium chloride Openeye Name: 2-dimethylaminoethyl-[2-[4-[(2-methoxy-4-nitro-phenyl)methoxycarbonyl-methyl-amino]phenyl]acetyl]ammonium chloride CAS Name: 2-dimethylaminoethyl-[2-[4-[[(2-methoxy-4-nitrophenyl)methoxy-oxomethyl]-methylamino]phenyl]-1-oxoethyl]ammonium chloride IUPAC Name: 2-dimethylaminoethyl-[2-[4-[(2-methoxy-4-nitrophenyl)methoxycarbonyl-methylamino]phenyl]acetyl]azanium chloride Traditional Name: 2-dimethylaminoethyl-[2-[4-[(2-methoxy-4-nitro-benzyl)oxycarbonyl-methyl-amino]phenyl]acetyl]ammonium chloride Formula: C22H29ClN4O6 MolecularWeight: 480.94186

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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=C(C=C(C=C2)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6.ClH/c1-24(2)12-11-23-21(27)13-16-5-8-18(9-6-16)25(3)22(28)32-15-17-7-10-19(26(29)30)14-20(17)31-4;/h5-10,14H,11-13,15H2,1-4H3,(H,23,27);1H