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

Systemtic Name: N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5OS/c1-14(13-25-2)22-10-6-16(7-11-22)23-17(5-9-20-23)21-18(24)15-4-3-8-19-12-15/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1