(phenylmethyl) 10-[2-cyclopentyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]decanoate

Systemtic Name: (phenylmethyl) 10-[2-cyclopentyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]decanoate Openeye Name: benzyl 10-(2-cyclopentyl-1,3-dioxo-isoindolin-2-ium-2-yl)decanoate CAS Name: 10-(2-cyclopentyl-1,3-dioxo-2-isoindol-2-iumyl)decanoic acid (phenylmethyl) ester IUPAC Name: benzyl 10-(2-cyclopentyl-1,3-dioxoisoindol-2-ium-2-yl)decanoate Traditional Name: 10-(2-cyclopentyl-1,3-diketo-isoindolin-2-ium-2-yl)capric acid benzyl ester Formula: C30H38NO4+ MolecularWeight: 476.62702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[N+]2(C(=O)C3=CC=CC=C3C2=O)CCCCCCCCCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[N+]2(C(=O)C3=CC=CC=C3C2=O)CCCCCCCCCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H38NO4/c32-28(35-23-24-15-7-6-8-16-24)21-9-4-2-1-3-5-14-22-31(25-17-10-11-18-25)29(33)26-19-12-13-20-27(26)30(31)34/h6-8,12-13,15-16,19-20,25H,1-5,9-11,14,17-18,21-23H2/q+1