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

Systemtic Name: (2S)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-2-piperazin-4-ium-1-yl-propionamide Formula: C13H26N3O3S+ MolecularWeight: 304.42884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O3S/c1-3-16(12-4-9-20(18,19)10-12)13(17)11(2)15-7-5-14-6-8-15/h11-12,14H,3-10H2,1-2H3/p+1/t11-,12-/m0/s1