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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]C3CCC(CC3)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]C3CCC(CC3)O)O

InChI

InChI=1S/C17H21NO4/c1-10-15(20)7-6-14-11(8-16(21)22-17(10)14)9-18-12-2-4-13(19)5-3-12/h6-8,12-13,18-20H,2-5,9H2,1H3/p+1