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

Systemtic Name: 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methyl-N-[2-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methyl-N-[2-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H28N4OS/c1-18-5-3-4-6-22(18)24(29)26-23-11-14-25-28(23)20-12-15-27(16-13-20)17-19-7-9-21(30-2)10-8-19/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,29)/p+1