(2S)-2-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-methoxy-N-[2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCSC

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CCCSC

InChI

InChI=1S/C21H30N4O2S/c1-27-20(17-7-4-3-5-8-17)21(26)23-19-9-12-22-25(19)18-10-14-24(15-11-18)13-6-16-28-2/h3-5,7-9,12,18,20H,6,10-11,13-16H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1