(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3/c1-24(13-16-12-23-25(14-16)18-6-4-3-5-7-18)15-17-10-22(26)28-21-11-19(27-2)8-9-20(17)21/h3-12,14H,13,15H2,1-2H3/p+1