N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide Formula: C17H31N2O+ MolecularWeight: 279.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CC[NH+](CC1)CC2CCC=CC2

Isomeric SMILES

CC[C@H](C)NC(=O)C1CC[NH+](CC1)C[C@H]2CCC=CC2

InChI

InChI=1S/C17H30N2O/c1-3-14(2)18-17(20)16-9-11-19(12-10-16)13-15-7-5-4-6-8-15/h4-5,14-16H,3,6-13H2,1-2H3,(H,18,20)/p+1/t14-,15+/m0/s1