N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride

Systemtic Name: N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride Openeye Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride CAS Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride IUPAC Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-homoveratryl-amine hydrochloride Formula: C18H21BrClNO4 MolecularWeight: 430.72064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C(=C2)Br)OCO3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C(=C2)Br)OCO3)OC.Cl

InChI

InChI=1S/C18H20BrNO4.ClH/c1-21-15-4-3-12(8-16(15)22-2)5-6-20-10-13-7-14(19)18-17(9-13)23-11-24-18;/h3-4,7-9,20H,5-6,10-11H2,1-2H3;1H