(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[[2-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3=CC=CC=C3CN4C=CC=N4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3=CC=CC=C3CN4C=CC=N4)O

InChI

InChI=1S/C23H23N3O3/c1-2-16-10-20-19(11-23(28)29-22(20)12-21(16)27)14-24-13-17-6-3-4-7-18(17)15-26-9-5-8-25-26/h3-12,24,27H,2,13-15H2,1H3/p+1