(3S)-1-(thian-4-yl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(thian-4-yl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-tetrahydrothiopyran-4-yl-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(4-thianyl)-N-[4-(4-thiazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(thian-4-yl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-tetrahydrothiopyran-4-yl-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C20H26N3OS2+ MolecularWeight: 388.56994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C20H25N3OS2/c24-20(16-2-1-9-23(12-16)18-7-10-25-11-8-18)22-17-5-3-15(4-6-17)19-13-26-14-21-19/h3-6,13-14,16,18H,1-2,7-12H2,(H,22,24)/p+1/t16-/m0/s1