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

Systemtic Name: (4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dipropyl-azanium Openeye Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dipropyl-ammonium CAS Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methyl-dipropylammonium IUPAC Name: (4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dipropylazanium Traditional Name: (4-hydroxy-7-keto-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl-dipropyl-ammonium Formula: C22H30NO3+ MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-3-12-23(13-4-2)14-18-20(24)11-10-17-21(25)19(15-26-22(17)18)16-8-6-5-7-9-16/h5-9,15,18,22,25H,3-4,10-14H2,1-2H3/p+1