2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: (3,4,5-trimethoxybenzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C21H29N2O6+ MolecularWeight: 405.46476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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