methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-methyl-8-(piazthiol-5-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)OC

InChI

InChI=1S/C18H22N4O3S/c1-21-16(23)10-13(17(24)25-2)18(21)5-7-22(8-6-18)11-12-3-4-14-15(9-12)20-26-19-14/h3-4,9,13H,5-8,10-11H2,1-2H3/p+1/t13-/m1/s1