3-methylbutyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 3-methylbutyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-isopentyl-ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-(3-methylbutyl)ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-(3-methylbutyl)azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-isoamyl-ammonium Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC(C)C)O

InChI

InChI=1S/C16H21NO3/c1-10(2)6-7-17-9-12-8-15(19)20-16-11(3)14(18)5-4-13(12)16/h4-5,8,10,17-18H,6-7,9H2,1-3H3/p+1