N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-28-17-5-13-24-14-9-18(10-15-24)25-20(8-12-22-25)23-21(26)11-16-27-19-6-3-2-4-7-19/h2-4,6-8,12,18H,5,9-11,13-17H2,1H3,(H,23,26)/p+1