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

Systemtic Name: 2-[1-azanyl-2-(2-methyl-3-phenyl-propanoyl)-2,3-dihydro-1H-inden-5-yl]-2-methyl-isoindol-2-ium-1,3-dione Openeye Name: 2-[1-amino-2-(2-methyl-3-phenyl-propanoyl)indan-5-yl]-2-methyl-isoindolin-2-ium-1,3-dione CAS Name: 2-[1-amino-2-(2-methyl-1-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-5-yl]-2-methylisoindol-2-ium-1,3-dione IUPAC Name: 2-[1-amino-2-(2-methyl-3-phenylpropanoyl)-2,3-dihydro-1H-inden-5-yl]-2-methylisoindol-2-ium-1,3-dione Traditional Name: 2-[1-amino-2-(2-methyl-3-phenyl-propanoyl)indan-5-yl]-2-methyl-isoindolin-2-ium-1,3-quinone Formula: C28H27N2O3+ MolecularWeight: 439.52558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(=O)C2CC3=C(C2N)C=CC(=C3)[N+]4(C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC(CC1=CC=CC=C1)C(=O)C2CC3=C(C2N)C=CC(=C3)[N+]4(C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H27N2O3/c1-17(14-18-8-4-3-5-9-18)26(31)24-16-19-15-20(12-13-21(19)25(24)29)30(2)27(32)22-10-6-7-11-23(22)28(30)33/h3-13,15,17,24-25H,14,16,29H2,1-2H3/q+1