N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C20H32N4O/c1-20(2,3)19(25)22-18-9-12-21-24(18)17-10-13-23(14-11-17)15-16-7-5-4-6-8-16/h4-5,9,12,16-17H,6-8,10-11,13-15H2,1-3H3,(H,22,25)/p+1/t16-/m1/s1