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

Systemtic Name: [4-[(6-tert-butyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cyclohexyl-dimethyl-azanium Openeye Name: [4-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethyl-ammonium CAS Name: [4-[[(6-tert-butyl-2H-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]methyl-cyclohexyl-dimethylammonium IUPAC Name: [4-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cyclohexyl-dimethylazanium Traditional Name: [4-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzyl]-cyclohexyl-dimethyl-ammonium Formula: C29H39N2O2+ MolecularWeight: 447.63216

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O2/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/p+1