[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H24N2OS/c1-15-5-3-7-18(21-15)14-22-12-4-6-17(13-22)20(23)16-8-10-19(24-2)11-9-16/h3,5,7-11,17H,4,6,12-14H2,1-2H3/p+1/t17-/m0/s1