(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium

Systemtic Name: (4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanium Openeye Name: (1-carboxy-2-methyl-butyl)-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]ammonium CAS Name: (7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-(1-hydroxy-3-methyl-1-oxopentan-2-yl)ammonium IUPAC Name: (7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-(1-hydroxy-3-methyl-1-oxopentan-2-yl)azanium Traditional Name: (1-carboxy-2-methyl-butyl)-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]ammonium Formula: C17H22NO5+ MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-4-9(2)15(17(21)22)18-8-12-13(19)6-5-11-10(3)7-14(20)23-16(11)12/h5-7,9,15,18-19H,4,8H2,1-3H3,(H,21,22)/p+1