dimethyl-[[4-[[3-(4-methylphenyl)-2H-chromen-6-yl]carbonylamino]phenyl]methyl]-(oxan-4-yl)azanium iodide

Systemtic Name: dimethyl-[[4-[[3-(4-methylphenyl)-2H-chromen-6-yl]carbonylamino]phenyl]methyl]-(oxan-4-yl)azanium iodide Openeye Name: dimethyl-[[4-[[3-(p-tolyl)-2H-chromene-6-carbonyl]amino]phenyl]methyl]-tetrahydropyran-4-yl-ammonium iodide CAS Name: dimethyl-[[4-[[[3-(4-methylphenyl)-2H-1-benzopyran-6-yl]-oxomethyl]amino]phenyl]methyl]-(4-oxanyl)ammonium iodide IUPAC Name: dimethyl-[[4-[[3-(4-methylphenyl)-2H-chromene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium iodide Traditional Name: dimethyl-[4-[[3-(p-tolyl)-2H-chromene-6-carbonyl]amino]benzyl]-tetrahydropyran-4-yl-ammonium iodide Formula: C31H35IN2O3 MolecularWeight: 610.52567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)OC2.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)OC2.[I-]

InChI

InChI=1S/C31H34N2O3.HI/c1-22-4-8-24(9-5-22)27-19-26-18-25(10-13-30(26)36-21-27)31(34)32-28-11-6-23(7-12-28)20-33(2,3)29-14-16-35-17-15-29;/h4-13,18-19,29H,14-17,20-21H2,1-3H3;1H