(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl-bis(2-methylpropyl)azanium

Systemtic Name: (2-methyl-7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl-bis(2-methylpropyl)azanium Openeye Name: (7-hydroxy-2-methyl-4-oxo-3-phenyl-chromen-8-yl)methyl-diisobutyl-ammonium CAS Name: (7-hydroxy-2-methyl-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl-bis(2-methylpropyl)ammonium IUPAC Name: (7-hydroxy-2-methyl-4-oxo-3-phenylchromen-8-yl)methyl-bis(2-methylpropyl)azanium Traditional Name: (7-hydroxy-4-keto-2-methyl-3-phenyl-chromen-8-yl)methyl-diisobutyl-ammonium Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CC(C)C)CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](CC(C)C)CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-16(2)13-26(14-17(3)4)15-21-22(27)12-11-20-24(28)23(18(5)29-25(20)21)19-9-7-6-8-10-19/h6-12,16-17,27H,13-15H2,1-5H3/p+1