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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCC(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCC(C)C

InChI

InChI=1S/C16H20ClNO3/c1-9(2)4-5-18-8-12-15(20)13(17)7-11-10(3)6-14(19)21-16(11)12/h6-7,9,18,20H,4-5,8H2,1-3H3/p+1