5-azoniaspiro[4.4]nonan-8-yl 2-(3-methylphenyl)-2-oxidanyl-propanoate

Systemtic Name: 5-azoniaspiro[4.4]nonan-8-yl 2-(3-methylphenyl)-2-oxidanyl-propanoate Openeye Name: 5-azoniaspiro[4.4]nonan-8-yl 2-hydroxy-2-(m-tolyl)propanoate CAS Name: 2-hydroxy-2-(3-methylphenyl)propanoic acid 5-azoniaspiro[4.4]nonan-8-yl ester IUPAC Name: 5-azoniaspiro[4.4]nonan-8-yl 2-hydroxy-2-(3-methylphenyl)propanoate Traditional Name: 2-hydroxy-2-(m-tolyl)propionic acid 5-azoniaspiro[4.4]nonan-8-yl ester Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(C(=O)OC2CC[N+]3(C2)CCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C)(C(=O)OC2CC[N+]3(C2)CCCC3)O

InChI

InChI=1S/C18H26NO3/c1-14-6-5-7-15(12-14)18(2,21)17(20)22-16-8-11-19(13-16)9-3-4-10-19/h5-7,12,16,21H,3-4,8-11,13H2,1-2H3/q+1