(3-methylthiophen-2-yl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methylthiophen-2-yl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C16H24NOS2+ MolecularWeight: 310.49786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C16H23NOS2/c1-12-4-10-20-16(12)15(18)13-3-2-7-17(11-13)14-5-8-19-9-6-14/h4,10,13-14H,2-3,5-9,11H2,1H3/p+1/t13-/m0/s1