[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C16H24NOS3+ MolecularWeight: 342.56286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)C3CSCCSC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)C3CSCCSC3

InChI

InChI=1S/C16H23NOS3/c1-12-4-6-21-16(12)15(18)13-3-2-5-17(9-13)14-10-19-7-8-20-11-14/h4,6,13-14H,2-3,5,7-11H2,1H3/p+1/t13-/m0/s1