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

Systemtic Name: 2-methyl-N-[2-[1-[(2S)-4-methyl-4-methylsulfanyl-pentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(1S)-1,3-dimethyl-3-methylsulfanyl-butyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: 2-methyl-N-[2-[1-[(2S)-4-methyl-4-(methylthio)pentan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-N-[2-[1-[(2S)-4-methyl-4-methylsulfanylpentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[(1S)-1,3-dimethyl-3-(methylthio)butyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4OS/c1-17-8-6-7-9-20(17)22(28)25-21-10-13-24-27(21)19-11-14-26(15-12-19)18(2)16-23(3,4)29-5/h6-10,13,18-19H,11-12,14-16H2,1-5H3,(H,25,28)/p+1/t18-/m0/s1