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

Systemtic Name: O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) O3-methyl 2-cyclopentyl-2-phenyl-propanedioate Openeye Name: O1-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) O3-methyl 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-methyl ester IUPAC Name: 1-O-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-O-methyl 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-methyl ester Formula: C24H34NO4+ MolecularWeight: 400.53106

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C24H34NO4/c1-25(2)19-13-14-20(25)16-21(15-19)29-23(27)24(22(26)28-3,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-21H,7-8,11-16H2,1-3H3/q+1