(3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(4-thianyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C20H26N4OS/c25-20(16-2-1-11-24(14-16)18-8-12-26-13-9-18)22-17-5-3-15(4-6-17)19-7-10-21-23-19/h3-7,10,16,18H,1-2,8-9,11-14H2,(H,21,23)(H,22,25)/p+1/t16-/m0/s1