1,3-benzodioxol-5-ylmethyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C21H26N2O5/c1-4-25-17-9-7-16(11-20(17)26-5-2)22-21(24)13-23(3)12-15-6-8-18-19(10-15)28-14-27-18/h6-11H,4-5,12-14H2,1-3H3,(H,22,24)/p+1