2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-(4-pyridylmethyl)ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: 4-pyridylmethyl-[2-(veratroylamino)ethyl]ammonium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-22-15-4-3-14(11-16(15)23-2)17(21)20-10-9-19-12-13-5-7-18-8-6-13/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)/p+1