[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C18H26NOS3+ MolecularWeight: 368.60014

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C18H25NOS3/c1-21-17-6-4-14(5-7-17)18(20)15-3-2-8-19(11-15)16-12-22-9-10-23-13-16/h4-7,15-16H,2-3,8-13H2,1H3/p+1/t15-/m0/s1