N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

InChI

InChI=1S/C20H26N4OS/c1-26-18-4-2-3-15(13-18)14-23-11-8-17(9-12-23)24-19(7-10-21-24)22-20(25)16-5-6-16/h2-4,7,10,13,16-17H,5-6,8-9,11-12,14H2,1H3,(H,22,25)/p+1