methyl (1S)-4-ethyl-3-oxidanylidene-8-(thian-4-yl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-ethyl-3-oxidanylidene-8-(thian-4-yl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-ethyl-3-oxo-8-tetrahydrothiopyran-4-yl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-ethyl-3-oxo-8-(4-thianyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-ethyl-3-oxo-8-(thian-4-yl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-ethyl-3-keto-8-tetrahydrothiopyran-4-yl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C17H29N2O3S+ MolecularWeight: 341.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C12CC[NH+](CC2)C3CCSCC3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C[C@@H](C12CC[NH+](CC2)C3CCSCC3)C(=O)OC

InChI

InChI=1S/C17H28N2O3S/c1-3-19-15(20)12-14(16(21)22-2)17(19)6-8-18(9-7-17)13-4-10-23-11-5-13/h13-14H,3-12H2,1-2H3/p+1/t14-/m1/s1