[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-tert-butylbenzoate iodide

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-tert-butylbenzoate iodide Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-tert-butylbenzoate iodide CAS Name: 4-tert-butylbenzoic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester iodide IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] 4-tert-butylbenzoate iodide Traditional Name: 4-tert-butylbenzoic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester iodide Formula: C24H32INO2 MolecularWeight: 493.42085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C[N+]2(CCCC2)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C[N+]2(CCCC2)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H32NO2.HI/c1-24(2,3)21-14-12-20(13-15-21)23(26)27-22(19-10-6-5-7-11-19)18-25(4)16-8-9-17-25;/h5-7,10-15,22H,8-9,16-18H2,1-4H3;1H/q+1;/p-1