2-dimethylaminoethyl-[2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]ethanoyl]azanium chloride

Systemtic Name: 2-dimethylaminoethyl-[2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]ethanoyl]azanium chloride Openeye Name: 2-dimethylaminoethyl-[2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]acetyl]ammonium chloride CAS Name: 2-dimethylaminoethyl-[2-[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]phenyl]-1-oxoethyl]ammonium chloride IUPAC Name: 2-dimethylaminoethyl-[2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]acetyl]azanium chloride Traditional Name: 2-dimethylaminoethyl-[2-[4-[(4-nitrobenzyl)oxycarbonylamino]phenyl]acetyl]ammonium chloride Formula: C20H25ClN4O5 MolecularWeight: 436.8893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5.ClH/c1-23(2)12-11-21-19(25)13-15-3-7-17(8-4-15)22-20(26)29-14-16-5-9-18(10-6-16)24(27)28;/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26);1H