2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: (4-nitrobenzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C18H22N3O5+ MolecularWeight: 360.38438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O5/c1-25-16-8-5-14(11-17(16)26-2)18(22)20-10-9-19-12-13-3-6-15(7-4-13)21(23)24/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,22)/p+1