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

Systemtic Name: (1R,2S)-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]cyclohexanecarboxylate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H28N2O3/c23-19(17-8-4-5-9-18(17)20(24)25)21-16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-14H2,(H,21,23)(H,24,25)/t17-,18+/m0/s1