2-chloranyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C19H26ClN4OS+ MolecularWeight: 393.95394

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H25ClN4OS/c1-14(13-26-2)23-11-8-15(9-12-23)24-18(7-10-21-24)22-19(25)16-5-3-4-6-17(16)20/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1