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2-azaniumyl-3-[1-hexyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate

2-azaniumyl-3-[1-hexyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate

Systemtic Name:2-azaniumyl-3-[1-hexyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate
Openeye Name:2-azaniumyl-3-(1-hexyl-2,5-dioxo-pyrrolidin-3-yl)sulfanyl-propanoate
CAS Name:2-ammonio-3-[(1-hexyl-2,5-dioxo-3-pyrrolidinyl)thio]propanoate
IUPAC Name:2-azaniumyl-3-(1-hexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoate
Traditional Name:2-ammonio-3-[(1-hexyl-2,5-diketo-pyrrolidin-3-yl)thio]propionate
Formula: C13H22N2O4S
MolecularWeight: 302.38978
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)CC(C1=O)SCC(C(=O)[O-])[NH3+]


Isomeric SMILES

CCCCCCN1C(=O)CC(C1=O)SCC(C(=O)[O-])[NH3+]


InChI

InChI=1S/C13H22N2O4S/c1-2-3-4-5-6-15-11(16)7-10(12(15)17)20-8-9(14)13(18)19/h9-10H,2-8,14H2,1H3,(H,18,19)


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