(1R,6S)-3,4-dimethyl-6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C22H30N2O3/c1-15-12-19(20(22(26)27)13-16(15)2)21(25)23-18-8-10-24(11-9-18)14-17-6-4-3-5-7-17/h3-7,18-20H,8-14H2,1-2H3,(H,23,25)(H,26,27)/t19-,20+/m0/s1