1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one; (3R)-3-propanoyloxy-4-(trimethylammonio)butanoate CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one; (3R)-3-(1-oxopropoxy)-4-(trimethylammonio)butanoate IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one; (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one; (3R)-3-propionyloxy-4-(trimethylammonio)butyrate Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C10H19NO4.C7H5NO3S/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h8H,5-7H2,1-4H3;1-4H,(H,8,9)/t8-;/m1./s1