bis(2-methylpropyl)-[(4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]azanium Openeye Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-diisobutyl-ammonium CAS Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methyl-bis(2-methylpropyl)ammonium IUPAC Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-bis(2-methylpropyl)azanium Traditional Name: (4-hydroxy-7-keto-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-diisobutyl-ammonium Formula: C24H34NO3+ MolecularWeight: 384.53166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1C2C(=C(C(=CO2)C3=CC=CC=C3)O)CCC1=O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1C2C(=C(C(=CO2)C3=CC=CC=C3)O)CCC1=O)CC(C)C

InChI

InChI=1S/C24H33NO3/c1-16(2)12-25(13-17(3)4)14-20-22(26)11-10-19-23(27)21(15-28-24(19)20)18-8-6-5-7-9-18/h5-9,15-17,20,24,27H,10-14H2,1-4H3/p+1