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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO3/c1-3-5-14-25(15-6-4-2)16-20-22(26)13-12-19-23(27)21(17-28-24(19)20)18-10-8-7-9-11-18/h7-11,17,20,24,27H,3-6,12-16H2,1-2H3/p+1