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

Systemtic Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxidanylidene-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxo-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(2,1,3-benzothiadiazol-5-ylmethyl)-3-oxo-4-propyl-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-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-8-(piazthiol-5-ylmethyl)-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)OC

InChI

InChI=1S/C20H26N4O3S/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/h4-5,11,15H,3,6-10,12-13H2,1-2H3/p+1/t15-/m1/s1