2-[1-azanyl-2-(phenylmethyl)-2,3-dihydro-1H-inden-5-yl]-2-methyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-[1-azanyl-2-(phenylmethyl)-2,3-dihydro-1H-inden-5-yl]-2-methyl-isoindol-2-ium-1,3-dione Openeye Name: 2-(1-amino-2-benzyl-indan-5-yl)-2-methyl-isoindolin-2-ium-1,3-dione CAS Name: 2-[1-amino-2-(phenylmethyl)-2,3-dihydro-1H-inden-5-yl]-2-methylisoindol-2-ium-1,3-dione IUPAC Name: 2-(1-amino-2-benzyl-2,3-dihydro-1H-inden-5-yl)-2-methylisoindol-2-ium-1,3-dione Traditional Name: 2-(1-amino-2-benzyl-indan-5-yl)-2-methyl-isoindolin-2-ium-1,3-quinone Formula: C25H23N2O2+ MolecularWeight: 383.46232

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C(C(C4)CC5=CC=CC=C5)N

Isomeric SMILES

C[N+]1(C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C(C(C4)CC5=CC=CC=C5)N

InChI

InChI=1S/C25H23N2O2/c1-27(24(28)21-9-5-6-10-22(21)25(27)29)19-11-12-20-17(15-19)14-18(23(20)26)13-16-7-3-2-4-8-16/h2-12,15,18,23H,13-14,26H2,1H3/q+1