2-(1,3-benzodioxol-5-yl)ethyl-[(3,5-dimethoxyphenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,5-dimethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,5-dimethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,5-dimethoxyphenyl)methyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-homopiperonyl-ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-20-15-7-14(8-16(10-15)21-2)11-19-6-5-13-3-4-17-18(9-13)23-12-22-17/h3-4,7-10,19H,5-6,11-12H2,1-2H3/p+1