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

Systemtic Name: [4-[(6-tert-butyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium chloride Openeye Name: [4-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethyl-ammonium chloride CAS Name: [4-[[(6-tert-butyl-2H-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-dimethylammonium chloride IUPAC Name: [4-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium chloride Traditional Name: [4-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzyl]-cyclohexyl-dimethyl-ammonium chloride Formula: C29H39ClN2O2 MolecularWeight: 483.08516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=C2)C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCCCC4.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=C2)C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCCCC4.[Cl-]

InChI

InChI=1S/C29H38N2O2.ClH/c1-29(2,3)24-13-16-27-22(18-24)17-23(20-33-27)28(32)30-25-14-11-21(12-15-25)19-31(4,5)26-9-7-6-8-10-26;/h11-18,26H,6-10,19-20H2,1-5H3;1H