(1R,2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]cyclohexanecarboxylate Formula: C15H26N2O3 MolecularWeight: 282.37854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O3/c1-16-9-7-11(8-10-16)17(2)14(18)12-5-3-4-6-13(12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)/t12-,13+/m0/s1