3-[[4-(1,10-dimethylacridin-10-ium-9-yl)carbonyloxy-3,5-dimethyl-phenyl]carbonylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(1,10-dimethylacridin-10-ium-9-yl)carbonyloxy-3,5-dimethyl-phenyl]carbonylamino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[4-(1,10-dimethylacridin-10-ium-9-carbonyl)oxy-3,5-dimethyl-benzoyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[[4-[(1,10-dimethyl-9-acridin-10-iumyl)-oxomethoxy]-3,5-dimethylphenyl]-oxomethyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[4-(1,10-dimethylacridin-10-ium-9-carbonyl)oxy-3,5-dimethylbenzoyl]amino]-3-oxopropanoic acid Traditional Name: 3-[[4-(1,10-dimethylacridin-10-ium-9-carbonyl)oxy-3,5-dimethyl-benzoyl]amino]-3-keto-propionic acid Formula: C28H25N2O6+ MolecularWeight: 485.5079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=[N+](C3=CC=CC=C3C(=C12)C(=O)OC4=C(C=C(C=C4C)C(=O)NC(=O)CC(=O)O)C)C

Isomeric SMILES

CC1=CC=CC2=[N+](C3=CC=CC=C3C(=C12)C(=O)OC4=C(C=C(C=C4C)C(=O)NC(=O)CC(=O)O)C)C

InChI

InChI=1S/C28H24N2O6/c1-15-8-7-11-21-24(15)25(19-9-5-6-10-20(19)30(21)4)28(35)36-26-16(2)12-18(13-17(26)3)27(34)29-22(31)14-23(32)33/h5-13H,14H2,1-4H3,(H-,29,31,32,33,34)/p+1