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

Systemtic Name: 2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H28N4O2S/c1-30-22-6-4-3-5-21(22)24(29)26-23-11-14-25-28(23)19-12-15-27(16-13-19)17-18-7-9-20(31-2)10-8-18/h3-11,14,19H,12-13,15-17H2,1-2H3,(H,26,29)/p+1