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

Systemtic Name: (3S)-1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-pyridylmethyl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-pyridinylmethyl)-N-[4-(4-thiazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(pyridin-3-ylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-pyridylmethyl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C21H22N4OS/c26-21(24-19-7-5-17(6-8-19)20-14-27-15-23-20)18-4-2-10-25(13-18)12-16-3-1-9-22-11-16/h1,3,5-9,11,14-15,18H,2,4,10,12-13H2,(H,24,26)/p+1/t18-/m0/s1