O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) O3-ethyl 2-cyclopentyl-2-phenyl-propanedioate

Systemtic Name: O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) O3-ethyl 2-cyclopentyl-2-phenyl-propanedioate Openeye Name: O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) O3-ethyl 2-cyclopentyl-2-phenyl-propanedioate CAS Name: 2-cyclopentyl-2-phenylpropanedioic acid O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester O3-ethyl ester IUPAC Name: 1-O-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-O-ethyl 2-cyclopentyl-2-phenylpropanedioate Traditional Name: 2-cyclopentyl-2-phenyl-malonic acid O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester O3-ethyl ester Formula: C25H36NO4+ MolecularWeight: 414.55764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)C(=O)OC3CC4CCC(C3)[N+]4(C)C

Isomeric SMILES

CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)C(=O)OC3CC4CCC(C3)[N+]4(C)C

InChI

InChI=1S/C25H36NO4/c1-4-29-23(27)25(19-12-8-9-13-19,18-10-6-5-7-11-18)24(28)30-22-16-20-14-15-21(17-22)26(20,2)3/h5-7,10-11,19-22H,4,8-9,12-17H2,1-3H3/q+1