8-thia-5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-(1H-pyrrol-3-yl)propanoate

Systemtic Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-(1H-pyrrol-3-yl)propanoate Openeye Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(1H-pyrrol-3-yl)propanoate CAS Name: 2-hydroxy-2-(1H-pyrrol-3-yl)propanoic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester IUPAC Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-(1H-pyrrol-3-yl)propanoate Traditional Name: 2-hydroxy-2-(1H-pyrrol-3-yl)propionic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N2O3S/c1-15(19,12-2-4-16-10-12)14(18)20-13-3-5-17(11-13)6-8-21-9-7-17/h2,4,10,13,16,19H,3,5-9,11H2,1H3/q+1