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

Systemtic Name: (4-bromophenyl)methyl-[2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]ammonium CAS Name: (4-bromophenyl)methyl-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-(veratroylamino)ethyl]ammonium Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3/c1-23-16-8-5-14(11-17(16)24-2)18(22)21-10-9-20-12-13-3-6-15(19)7-4-13/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)/p+1