2-methyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-(4-thianyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]benzamide Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCSCC4

InChI

InChI=1S/C21H28N4OS/c1-16-4-2-3-5-19(16)21(26)23-20-6-11-22-25(20)18-7-12-24(13-8-18)17-9-14-27-15-10-17/h2-6,11,17-18H,7-10,12-15H2,1H3,(H,23,26)/p+1