N-[2-[1-[(1S)-3,3-dimethylcyclohexyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(1S)-3,3-dimethylcyclohexyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(1S)-3,3-dimethylcyclohexyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(1S)-3,3-dimethylcyclohexyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(1S)-3,3-dimethylcyclohexyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(1S)-3,3-dimethylcyclohexyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C22H32N5O+ MolecularWeight: 382.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1(CCC[C@@H](C1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C22H31N5O/c1-22(2)10-3-6-19(15-22)26-13-8-18(9-14-26)27-20(7-12-24-27)25-21(28)17-5-4-11-23-16-17/h4-5,7,11-12,16,18-19H,3,6,8-10,13-15H2,1-2H3,(H,25,28)/p+1/t19-/m0/s1