2-[4-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N2O3/c1-28-18-12-10-17(11-13-18)21-9-6-15-24(21)14-4-5-16-25-22(26)19-7-2-3-8-20(19)23(25)27/h2-3,7-8,10-13,21H,4-6,9,14-16H2,1H3/p+1/t21-/m1/s1