(2S)-9,12-dioxa-4-thia-1-azoniadispiro[4.2.4^{8}.2^{5}]tetradecane-2-carboxylate

Systemtic Name: (2S)-9,12-dioxa-4-thia-1-azoniadispiro[4.2.4^{8}.2^{5}]tetradecane-2-carboxylate Openeye Name: (2S)-9,12-dioxa-4-thia-1-azoniadispiro[4.2.4^{8}.2^{5}]tetradecane-2-carboxylate CAS Name: (2S)-9,12-dioxa-4-thia-1-azoniadispiro[4.2.4^{8}.2^{5}]tetradecane-2-carboxylate IUPAC Name: (2S)-9,12-dioxa-4-thia-1-azoniadispiro[4.2.4^{8}.2^{5}]tetradecane-2-carboxylate Traditional Name: (2S)-9,12-dioxa-4-thia-1-azoniadispiro[4.2.4^{8}.2^{5}]tetradecane-2-carboxylate Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC13[NH2+]C(CS3)C(=O)[O-])OCCO2

Isomeric SMILES

C1CC2(CCC13[NH2+][C@H](CS3)C(=O)[O-])OCCO2

InChI

InChI=1S/C11H17NO4S/c13-9(14)8-7-17-10(12-8)1-3-11(4-2-10)15-5-6-16-11/h8,12H,1-7H2,(H,13,14)/t8-/m1/s1