[(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(1,3-benzothiazol-2-ylmethyl)-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C21H23N2OS2+ MolecularWeight: 383.55012

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c1-25-17-10-8-15(9-11-17)21(24)16-5-4-12-23(13-16)14-20-22-18-6-2-3-7-19(18)26-20/h2-3,6-11,16H,4-5,12-14H2,1H3/p+1/t16-/m0/s1