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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: (2,3,4-trimethoxybenzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C21H29N2O6+ MolecularWeight: 405.46476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-25-16-8-6-14(12-18(16)27-3)21(24)23-11-10-22-13-15-7-9-17(26-2)20(29-5)19(15)28-4/h6-9,12,22H,10-11,13H2,1-5H3,(H,23,24)/p+1