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

Systemtic Name: diethyl-[(4-oxidanyl-7-oxidanylidene-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]azanium Openeye Name: diethyl-[(4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]ammonium CAS Name: diethyl-[(4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methyl]ammonium IUPAC Name: diethyl-[(4-hydroxy-7-oxo-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]azanium Traditional Name: diethyl-[(4-hydroxy-7-keto-3-phenyl-5,6,8,8a-tetrahydrochromen-8-yl)methyl]ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-3-21(4-2)12-16-18(22)11-10-15-19(23)17(13-24-20(15)16)14-8-6-5-7-9-14/h5-9,13,16,20,23H,3-4,10-12H2,1-2H3/p+1