(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=C(N(N=C3C)C4=CC=CC=C4)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=C(N(N=C3C)C4=CC=CC=C4)C)O

InChI

InChI=1S/C25H27N3O3/c1-5-18-11-21-19(12-25(30)31-24(21)13-23(18)29)14-27(4)15-22-16(2)26-28(17(22)3)20-9-7-6-8-10-20/h6-13,29H,5,14-15H2,1-4H3/p+1