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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: homopiperonyl(veratryl)ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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