2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-3H-isoindol-2-ium-1-amine bromide Traditional Name: (2-veratryl-3H-isoindol-2-ium-1-yl)amine bromide Formula: C17H19BrN2O2 MolecularWeight: 363.24896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2=C(C3=CC=CC=C3C2)N)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2=C(C3=CC=CC=C3C2)N)OC.[Br-]

InChI

InChI=1S/C17H18N2O2.BrH/c1-20-15-8-7-12(9-16(15)21-2)10-19-11-13-5-3-4-6-14(13)17(19)18;/h3-9,18H,10-11H2,1-2H3;1H