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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-methyl-piperonyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-13-3-6-15(7-4-13)19-18(21)11-20(2)10-14-5-8-16-17(9-14)23-12-22-16/h3-9H,10-12H2,1-2H3,(H,19,21)/p+1