[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H25NO3/c1-4-15-5-7-16(8-6-15)22(14(2)3)23-13-17-11-21(25)26-20-12-18(24)9-10-19(17)20/h5-12,14,22-24H,4,13H2,1-3H3/p+1/t22-/m0/s1