1,3-benzodioxol-5-ylmethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H24N2O3/c1-4-16-7-5-6-14(2)20(16)21-19(23)12-22(3)11-15-8-9-17-18(10-15)25-13-24-17/h5-10H,4,11-13H2,1-3H3,(H,21,23)/p+1