1-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[1-[(3S)-1,1-dioxo-3-thiolanyl]-2,5-dimethyl-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[1-[(3S)-1,1-diketothiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1[C@H]2CCS(=O)(=O)C2)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H26N2O3S/c1-13-10-16(17(20)11-18-7-4-3-5-8-18)14(2)19(13)15-6-9-23(21,22)12-15/h10,15H,3-9,11-12H2,1-2H3/p+1/t15-/m0/s1