[3-butanoyloxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] butanoate

Systemtic Name: [3-butanoyloxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] butanoate Openeye Name: [3-butanoyloxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] butanoate CAS Name: butanoic acid [4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-3-(1-oxobutoxy)phenyl] ester IUPAC Name: [3-butanoyloxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] butanoate Traditional Name: butyric acid [3-butyryloxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ester Formula: C23H34NO4+ MolecularWeight: 388.52036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=C(C=C1)C[N+]2(C3CCCC2CC3)C)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=CC(=C(C=C1)C[N+]2(C3CCCC2CC3)C)OC(=O)CCC

InChI

InChI=1S/C23H34NO4/c1-4-7-22(25)27-20-14-11-17(21(15-20)28-23(26)8-5-2)16-24(3)18-9-6-10-19(24)13-12-18/h11,14-15,18-19H,4-10,12-13,16H2,1-3H3/q+1