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

Systemtic Name: N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C26H33N4OS+ MolecularWeight: 449.63142

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-32-24-12-10-22(11-13-24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)9-5-8-21-6-3-2-4-7-21/h2-4,6-7,10-14,17,23H,5,8-9,15-16,18-20H2,1H3,(H,28,31)/p+1