6-chloranyl-4-methyl-8-[(3-methylbutylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-4-methyl-8-[(3-methylbutylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[(isopentylammonio)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-methyl-8-[(3-methylbutylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-methyl-8-[(3-methylbutylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[(isoamylammonio)methyl]-2-keto-4-methyl-chromen-7-olate Formula: C16H20ClNO3 MolecularWeight: 309.7879

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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