2-(1,3-benzodioxol-5-yl)-N-[(3-bromanyl-4-methoxy-phenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-bromanyl-4-methoxy-phenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxy-phenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]ethanamine; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-homopiperonyl-amine; oxalic acid Formula: C19H20BrNO7 MolecularWeight: 454.2686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18BrNO3.C2H2O4/c1-20-15-4-3-13(8-14(15)18)10-19-7-6-12-2-5-16-17(9-12)22-11-21-16;3-1(4)2(5)6/h2-5,8-9,19H,6-7,10-11H2,1H3;(H,3,4)(H,5,6)