(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-isopropylthiazol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4-isopropylthiazol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C22H27N5OS/c1-16(2)20-15-29-21(25-20)14-26-10-4-6-17(13-26)22(28)24-18-7-3-8-19(12-18)27-11-5-9-23-27/h3,5,7-9,11-12,15-17H,4,6,10,13-14H2,1-2H3,(H,24,28)/p+1/t17-/m0/s1