2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromanyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromanyl-4-methoxy-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromo-4-methoxy-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromo-4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromo-4-methoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4-methoxy-benzyl)-homopiperonyl-ammonium Formula: C17H19BrNO3+ MolecularWeight: 365.24166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C17H18BrNO3/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/h2-5,8-9,19H,6-7,10-11H2,1H3/p+1