1-(3-methylsulfanylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylsulfanylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-methylsulfanylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(methylthio)propyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylsulfanylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(methylthio)propyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CC=NN3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CC=NN3

InChI

InChI=1S/C19H26N4OS/c1-25-13-3-10-23-11-7-15(8-12-23)19(24)21-17-5-2-4-16(14-17)18-6-9-20-22-18/h2,4-6,9,14-15H,3,7-8,10-13H2,1H3,(H,20,22)(H,21,24)/p+1