methyl (1S)-4-ethyl-3-oxidanylidene-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-ethyl-3-oxidanylidene-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-ethyl-3-oxo-8-[(2-phenylthiazol-5-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-ethyl-3-oxo-8-[(2-phenyl-5-thiazolyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-ethyl-3-oxo-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-ethyl-3-keto-8-[(2-phenylthiazol-5-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C12CC[NH+](CC2)CC3=CN=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CN=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H27N3O3S/c1-3-25-19(26)13-18(21(27)28-2)22(25)9-11-24(12-10-22)15-17-14-23-20(29-17)16-7-5-4-6-8-16/h4-8,14,18H,3,9-13,15H2,1-2H3/p+1/t18-/m1/s1