2-[(2-ethyl-6-propan-2-yl-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate

Systemtic Name: 2-[(2-ethyl-6-propan-2-yl-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Openeye Name: 2-(2-ethyl-6-isopropyl-anilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate CAS Name: 2-(2-ethyl-6-propan-2-ylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione perchlorate IUPAC Name: 2-(2-ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Traditional Name: 2-(2-ethyl-6-isopropyl-anilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone perchlorate Formula: C27H27ClN2O6 MolecularWeight: 510.96608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2.ClHO4/c1-5-19-9-8-12-20(17(2)3)23(19)28-24-25(29-15-13-18(4)14-16-29)27(31)22-11-7-6-10-21(22)26(24)30;2-1(3,4)5/h6-17H,5H2,1-4H3;(H,2,3,4,5)