(4-methylsulfanylphenyl)-[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C18H23N2OS2+ MolecularWeight: 347.51802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H22N2OS2/c1-13-19-10-17(23-13)12-20-9-3-4-15(11-20)18(21)14-5-7-16(22-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3/p+1/t15-/m0/s1