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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2C)O

Isomeric SMILES

CCC(CC)[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2C)O

InChI

InChI=1S/C16H21NO3/c1-4-12(5-2)17-9-11-8-15(19)20-16-10(3)14(18)7-6-13(11)16/h6-8,12,17-18H,4-5,9H2,1-3H3/p+1