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

Systemtic Name: N-[2-[1-[(2S)-4-methyl-4-methylsulfanyl-pentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(1S)-1,3-dimethyl-3-methylsulfanyl-butyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(2S)-4-methyl-4-(methylthio)pentan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2S)-4-methyl-4-methylsulfanylpentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(1S)-1,3-dimethyl-3-(methylthio)butyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H39N4OS+ MolecularWeight: 443.66836

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)SC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC(C)(C)SC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H38N4OS/c1-20(19-25(2,3)31-4)28-17-14-22(15-18-28)29-23(13-16-26-29)27-24(30)12-8-11-21-9-6-5-7-10-21/h5-7,9-10,13,16,20,22H,8,11-12,14-15,17-19H2,1-4H3,(H,27,30)/p+1/t20-/m0/s1