2-[(2,6-diethylphenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-[(2,6-diethylphenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione Openeye Name: 2-(2,6-diethylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione CAS Name: 2-(2,6-diethylanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione IUPAC Name: 2-(2,6-diethylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione Traditional Name: 2-(2,6-diethylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H26N2O2/c1-5-19-10-9-11-20(6-2)23(19)28-24-25(29-15-17(3)14-18(4)16-29)27(31)22-13-8-7-12-21(22)26(24)30/h7-16H,5-6H2,1-4H3/p+1