2-[2-(3-phenethyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-phenethyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-phenethyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(3-phenethyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-phenethyl-4,5-dihydro-1H-imidazol-3-ium-4-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(3-phenethyl-2-imidazolin-3-ium-4-yl)ethyl]isoindoline-1,3-quinone Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](=CN1)CCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C([N+](=CN1)CCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O2/c25-20-18-8-4-5-9-19(18)21(26)24(20)13-11-17-14-22-15-23(17)12-10-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2/p+1