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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-(o-tolyl)ethylamino]ethyl]-methyl-piperonyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3/c1-15-5-3-4-6-17(15)9-10-21-20(23)13-22(2)12-16-7-8-18-19(11-16)25-14-24-18/h3-8,11H,9-10,12-14H2,1-2H3,(H,21,23)/p+1