[(2R)-6-methylheptan-2-yl]-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: [(2R)-6-methylheptan-2-yl]-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1R)-1,5-dimethylhexyl]-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1,5-dimethylhexyl]-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+][C@H](C)CCCC(C)C)O

InChI

InChI=1S/C19H27NO3/c1-12(2)6-5-7-13(3)20-11-15-10-18(22)23-19-14(4)17(21)9-8-16(15)19/h8-10,12-13,20-21H,5-7,11H2,1-4H3/p+1/t13-/m1/s1