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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C4CCSCC4

InChI

InChI=1S/C20H26N4OS/c25-20(15-5-10-24(11-6-15)18-7-12-26-13-8-18)22-17-3-1-2-16(14-17)19-4-9-21-23-19/h1-4,9,14-15,18H,5-8,10-13H2,(H,21,23)(H,22,25)/p+1