(1R,6S)-6-(1-methylpiperidin-1-ium-4-yl)oxycarbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-(1-methylpiperidin-1-ium-4-yl)oxycarbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-(1-methylpiperidin-1-ium-4-yl)oxycarbonylcyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(1-methyl-4-piperidin-1-iumyl)oxy-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-(1-methylpiperidin-1-ium-4-yl)oxycarbonylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(1-methylpiperidin-1-ium-4-yl)oxycarbonylcyclohex-3-ene-1-carboxylate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C14H21NO4/c1-15-8-6-10(7-9-15)19-14(18)12-5-3-2-4-11(12)13(16)17/h2-3,10-12H,4-9H2,1H3,(H,16,17)/t11-,12+/m1/s1