[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: (4-ethoxybenzyl)-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O4/c1-3-24-17-7-4-15(5-8-17)12-22(2)13-20(23)21-11-16-6-9-18-19(10-16)26-14-25-18/h4-10H,3,11-14H2,1-2H3,(H,21,23)/p+1