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

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [4-(methylthio)phenyl]-[(3S)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C20H27N2OS2+ MolecularWeight: 375.57118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2OS2/c1-14(2)18-13-25-19(21-18)12-22-10-4-5-16(11-22)20(23)15-6-8-17(24-3)9-7-15/h6-9,13-14,16H,4-5,10-12H2,1-3H3/p+1/t16-/m0/s1