methyl 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N2O5/c1-11(19-7-5-12(6-8-19)17(21)22-2)16(20)18-13-3-4-14-15(9-13)24-10-23-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,20)/p+1/t11-/m1/s1