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

Systemtic Name: (1S,6S)-6-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[oxo-[(1-propyl-4-piperidin-1-iumyl)amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H26N2O3 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14H,2,5-11H2,1H3,(H,17,19)(H,20,21)/t13-,14-/m0/s1