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

Systemtic Name: 2-[4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N2O3/c1-2-29-19-13-11-18(12-14-19)22-10-7-16-25(22)15-5-6-17-26-23(27)20-8-3-4-9-21(20)24(26)28/h3-4,8-9,11-14,22H,2,5-7,10,15-17H2,1H3/p+1/t22-/m1/s1