2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-iodophenyl)amino]naphthalene-1,4-dione

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-iodophenyl)amino]naphthalene-1,4-dione Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-iodoanilino)naphthalene-1,4-dione CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-(4-iodoanilino)naphthalene-1,4-dione IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-iodoanilino)naphthalene-1,4-dione Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-iodoanilino)-1,4-naphthoquinone Formula: C23H18IN2O2+ MolecularWeight: 481.30569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)I)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)I)C

InChI

InChI=1S/C23H17IN2O2/c1-14-11-15(2)13-26(12-14)21-20(25-17-9-7-16(24)8-10-17)22(27)18-5-3-4-6-19(18)23(21)28/h3-13H,1-2H3/p+1