2-[4-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c25-21-18-11-4-5-12-19(18)22(26)24(21)16-7-6-14-23-15-8-13-20(23)17-9-2-1-3-10-17/h1-5,9-12,20H,6-8,13-16H2/p+1/t20-/m0/s1