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

Systemtic Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C23H31N4O+ MolecularWeight: 379.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4CCC=CC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C[C@H]4CCC=CC4

InChI

InChI=1S/C23H30N4O/c1-18-7-5-6-10-21(18)23(28)25-22-11-14-24-27(22)20-12-15-26(16-13-20)17-19-8-3-2-4-9-19/h2-3,5-7,10-11,14,19-20H,4,8-9,12-13,15-17H2,1H3,(H,25,28)/p+1/t19-/m1/s1