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

Systemtic Name: (2-bromophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (2-bromophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (2-bromophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (2-bromobenzyl)-homoveratryl-ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=CC=C2Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=CC=C2Br)OC

InChI

InChI=1S/C17H20BrNO2/c1-20-16-8-7-13(11-17(16)21-2)9-10-19-12-14-5-3-4-6-15(14)18/h3-8,11,19H,9-10,12H2,1-2H3/p+1