[4-[3-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxy-phenyl] propanoate

Systemtic Name: [4-[3-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxy-phenyl] propanoate Openeye Name: [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-(1-oxopropoxy)phenyl] ester IUPAC Name: [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propionyloxy-phenyl] ester Formula: C23H34NO5+ MolecularWeight: 404.51976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)CCC[N+]2(C3CCC2CC(C3)O)C)OC(=O)CC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)CCC[N+]2(C3CCC2CC(C3)O)C)OC(=O)CC

InChI

InChI=1S/C23H34NO5/c1-4-22(26)28-20-11-8-16(13-21(20)29-23(27)5-2)7-6-12-24(3)17-9-10-18(24)15-19(25)14-17/h8,11,13,17-19,25H,4-7,9-10,12,14-15H2,1-3H3/q+1