(6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-diethyl-azanium

Systemtic Name: (6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-diethyl-azanium Openeye Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl-diethyl-ammonium CAS Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-diethylammonium IUPAC Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl-diethylazanium Traditional Name: (6-chloro-7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl-diethyl-ammonium Formula: C16H21ClNO3+ MolecularWeight: 310.79584

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)C)C

Isomeric SMILES

CC[NH+](CC)CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)C)C

InChI

InChI=1S/C16H20ClNO3/c1-5-18(6-2)8-12-14(19)13(17)7-11-9(3)10(4)16(20)21-15(11)12/h7,19H,5-6,8H2,1-4H3/p+1