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

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2-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]-[2-(methylthio)phenyl]methanone IUPAC Name: (2-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]-[2-(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=CC=C3SC

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C18H22N2OS2/c1-13-19-10-15(23-13)12-20-9-5-6-14(11-20)18(21)16-7-3-4-8-17(16)22-2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3/p+1/t14-/m0/s1