(2S)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-2-piperazin-4-ium-1-yl-propionamide Formula: C12H24N3O3S+ MolecularWeight: 290.40226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N2CC[NH2+]CC2

InChI

InChI=1S/C12H23N3O3S/c1-10(15-6-4-13-5-7-15)12(16)14(2)11-3-8-19(17,18)9-11/h10-11,13H,3-9H2,1-2H3/p+1/t10-,11-/m0/s1