(2-methylsulfanylphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-28-21-12-6-5-11-20(21)23(27)18-10-7-13-26(15-18)16-19-14-24-25-22(19)17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,24,25)/p+1/t18-/m0/s1