(1R,6S)-6-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H24N2O3 MolecularWeight: 280.36266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,11-13H,5-10H2,1-2H3,(H,19,20)/t12-,13+/m0/s1