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

Systemtic Name: methyl (1S)-8-(1,3-benzothiazol-2-ylmethyl)-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-(1,3-benzothiazol-2-ylmethyl)-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)CC=C

InChI

InChI=1S/C21H25N3O3S/c1-3-10-24-19(25)13-15(20(26)27-2)21(24)8-11-23(12-9-21)14-18-22-16-6-4-5-7-17(16)28-18/h3-7,15H,1,8-14H2,2H3/p+1/t15-/m1/s1