(2S)-1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[3-(methylthio)propyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[3-(methylthio)propyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CSCCC[NH+]1CCCC[C@H]1C(=O)NC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H26N4OS/c1-25-15-5-13-22-12-3-2-6-18(22)19(24)21-16-7-9-17(10-8-16)23-14-4-11-20-23/h4,7-11,14,18H,2-3,5-6,12-13,15H2,1H3,(H,21,24)/p+1/t18-/m0/s1