2-[(2-methyl-6-propan-2-yl-phenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-phenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(2-isopropyl-6-methyl-anilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(2-methyl-6-propan-2-ylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(2-methyl-6-propan-2-ylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(2-isopropyl-6-methyl-anilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C25H23IN2O2 MolecularWeight: 510.36679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4.[I-]

InChI

InChI=1S/C25H22N2O2.HI/c1-16(2)18-13-9-10-17(3)21(18)26-22-23(27-14-7-4-8-15-27)25(29)20-12-6-5-11-19(20)24(22)28;/h4-16H,1-3H3;1H