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

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-oxidanyl-2-(1H-pyrrol-3-yl)propanoate Openeye Name: 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 5-azoniaspiro[4.5]decan-3-yl ester IUPAC Name: 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 5-azoniaspiro[4.5]decan-3-yl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC=C1)(C(=O)OC2CC[N+]3(C2)CCCCC3)O

Isomeric SMILES

CC(C1=CNC=C1)(C(=O)OC2CC[N+]3(C2)CCCCC3)O

InChI

InChI=1S/C16H25N2O3/c1-16(20,13-5-7-17-11-13)15(19)21-14-6-10-18(12-14)8-3-2-4-9-18/h5,7,11,14,17,20H,2-4,6,8-10,12H2,1H3/q+1