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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O5/c1-3-25-17-5-7-18(8-6-17)26-11-10-22-21(24)14-23(2)13-16-4-9-19-20(12-16)28-15-27-19/h4-9,12H,3,10-11,13-15H2,1-2H3,(H,22,24)/p+1