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

Systemtic Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-(piazthiol-5-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)CC=C

InChI

InChI=1S/C20H24N4O3S/c1-3-8-24-18(25)12-15(19(26)27-2)20(24)6-9-23(10-7-20)13-14-4-5-16-17(11-14)22-28-21-16/h3-5,11,15H,1,6-10,12-13H2,2H3/p+1/t15-/m1/s1