2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C26H31N2O5+ MolecularWeight: 451.53474

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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)OCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C26H30N2O5/c1-30-22-12-10-21(16-25(22)32-3)26(29)28-14-13-27-17-20-9-11-23(24(15-20)31-2)33-18-19-7-5-4-6-8-19/h4-12,15-16,27H,13-14,17-18H2,1-3H3,(H,28,29)/p+1