diethyl-methyl-[[4-[(4E)-1-methyl-4-[(4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)methylidene]quinolin-2-yl]phenyl]methyl]azanium dihydroiodide

Systemtic Name: diethyl-methyl-[[4-[(4E)-1-methyl-4-[(4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)methylidene]quinolin-2-yl]phenyl]methyl]azanium dihydroiodide Openeye Name: diethyl-methyl-[[4-[(4E)-1-methyl-4-[(4-methyloxazolo[4,5-b]pyridin-4-ium-2-yl)methylene]-2-quinolyl]phenyl]methyl]ammonium dihydroiodide CAS Name: diethyl-methyl-[[4-[(4E)-1-methyl-4-[(4-methyl-2-oxazolo[4,5-b]pyridin-4-iumyl)methylidene]-2-quinolinyl]phenyl]methyl]ammonium dihydroiodide IUPAC Name: diethyl-methyl-[[4-[(4E)-1-methyl-4-[(4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)methylidene]quinolin-2-yl]phenyl]methyl]azanium dihydroiodide Traditional Name: diethyl-methyl-[4-[(4E)-1-methyl-4-[(4-methyloxazolo[4,5-b]pyridin-4-ium-2-yl)methylene]-2-quinolyl]benzyl]ammonium dihydroiodide Formula: C30H36I2N4O+2 MolecularWeight: 722.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC1=CC=C(C=C1)C2=CC(=CC3=NC4=C(O3)C=CC=[N+]4C)C5=CC=CC=C5N2C.I.I

Isomeric SMILES

CC[N+](C)(CC)CC1=CC=C(C=C1)C2=C/C(=C\C3=NC4=C(O3)C=CC=[N+]4C)/C5=CC=CC=C5N2C.I.I

InChI

InChI=1S/C30H34N4O.2HI/c1-6-34(5,7-2)21-22-14-16-23(17-15-22)27-19-24(25-11-8-9-12-26(25)33(27)4)20-29-31-30-28(35-29)13-10-18-32(30)3;;/h8-20H,6-7,21H2,1-5H3;2*1H/q+2;;