4-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 4-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 4-phenyl-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 4-phenyl-N-[2-[1-(2-thiazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 4-phenyl-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C22H28N5OS+ MolecularWeight: 410.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C22H27N5OS/c28-21(8-4-7-18-5-2-1-3-6-18)25-20-9-12-24-27(20)19-10-14-26(15-11-19)17-22-23-13-16-29-22/h1-3,5-6,9,12-13,16,19H,4,7-8,10-11,14-15,17H2,(H,25,28)/p+1