8-thia-5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-oxidanyl-propanoate

Systemtic Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-oxidanyl-propanoate Openeye Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-hydroxy-propanoate CAS Name: 2-(4-chlorophenyl)-2-hydroxypropanoic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester IUPAC Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-(4-chlorophenyl)-2-hydroxypropanoate Traditional Name: 2-(4-chlorophenyl)-2-hydroxy-propionic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester Formula: C17H23ClNO3S+ MolecularWeight: 356.88742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)(C(=O)OC2CC[N+]3(C2)CCSCC3)O

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)(C(=O)OC2CC[N+]3(C2)CCSCC3)O

InChI

InChI=1S/C17H23ClNO3S/c1-17(21,13-2-4-14(18)5-3-13)16(20)22-15-6-7-19(12-15)8-10-23-11-9-19/h2-5,15,21H,6-12H2,1H3/q+1