(1R,6S)-3,4-dimethyl-6-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-[(1-propan-2-ylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(1-isopropylpiperidin-1-ium-4-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C18H30N2O3 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2CC[NH+](CC2)C(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2CC[NH+](CC2)C(C)C)C(=O)[O-])C

InChI

InChI=1S/C18H30N2O3/c1-11(2)20-7-5-14(6-8-20)19-17(21)15-9-12(3)13(4)10-16(15)18(22)23/h11,14-16H,5-10H2,1-4H3,(H,19,21)(H,22,23)/t15-,16+/m0/s1