diethyl-[2-[3-[(4R)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]ethyl]azanium

Systemtic Name: diethyl-[2-[3-[(4R)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]phenoxy]ethyl]azanium Openeye Name: diethyl-[2-[3-[(4R)-7-hydroxy-2-oxo-chroman-4-yl]phenoxy]ethyl]ammonium CAS Name: diethyl-[2-[3-[(4R)-7-hydroxy-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[3-[(4R)-7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]phenoxy]ethyl]azanium Traditional Name: diethyl-[2-[3-[(4R)-7-hydroxy-2-keto-chroman-4-yl]phenoxy]ethyl]ammonium Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=CC(=C1)C2CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=CC(=C1)[C@H]2CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H25NO4/c1-3-22(4-2)10-11-25-17-7-5-6-15(12-17)19-14-21(24)26-20-13-16(23)8-9-18(19)20/h5-9,12-13,19,23H,3-4,10-11,14H2,1-2H3/p+1/t19-/m1/s1