[4-[(6-bromanyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride

Systemtic Name: [4-[(6-bromanyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride Openeye Name: [4-[(6-bromo-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethyl-ammonium chloride CAS Name: [4-[[(6-bromo-2H-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-dimethylammonium chloride IUPAC Name: [4-[(6-bromo-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium chloride Traditional Name: [4-[(6-bromo-2H-chromene-3-carbonyl)amino]benzyl]-cyclohexyl-dimethyl-ammonium chloride Formula: C25H30BrClN2O2 MolecularWeight: 505.8749

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)C4CCCCC4.[Cl-]

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)C4CCCCC4.[Cl-]

InChI

InChI=1S/C25H29BrN2O2.ClH/c1-28(2,23-6-4-3-5-7-23)16-18-8-11-22(12-9-18)27-25(29)20-14-19-15-21(26)10-13-24(19)30-17-20;/h8-15,23H,3-7,16-17H2,1-2H3;1H