(3S)-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C17H31N2O+ MolecularWeight: 279.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CC[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C17H30N2O/c1-13-6-4-9-17(2,3)15(13)8-11-19-10-5-7-14(12-19)16(18)20/h14H,4-12H2,1-3H3,(H2,18,20)/p+1/t14-/m0/s1