methyl 1-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H23N2O6+ MolecularWeight: 363.38502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)C(=O)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)C(=O)OC)OCO2

InChI

InChI=1S/C18H22N2O6/c1-11(21)13-7-15-16(26-10-25-15)8-14(13)19-17(22)9-20-5-3-12(4-6-20)18(23)24-2/h7-8,12H,3-6,9-10H2,1-2H3,(H,19,22)/p+1