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

Systemtic Name: (2S)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-methoxy-N-[2-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H30N4O2S/c1-31-24(20-6-4-3-5-7-20)25(30)27-23-12-15-26-29(23)21-13-16-28(17-14-21)18-19-8-10-22(32-2)11-9-19/h3-12,15,21,24H,13-14,16-18H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1