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

Systemtic Name: [4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-propanoyloxy-phenyl] propanoate Openeye Name: [4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-(1-oxopropoxy)phenyl] ester IUPAC Name: [4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-propionyloxy-phenyl] ester Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO4/c1-4-20(23)25-18-12-9-15(13-19(18)26-21(24)5-2)14-22(3)16-7-6-8-17(22)11-10-16/h9,12-13,16-17H,4-8,10-11,14H2,1-3H3/q+1