(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(3-ketobenzo[f]chromen-1-yl)methyl]-methyl-ammonium Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O2/c1-18-24(19(2)30(28-18)22-10-5-4-6-11-22)17-29(3)16-21-15-26(31)32-25-14-13-20-9-7-8-12-23(20)27(21)25/h4-15H,16-17H2,1-3H3/p+1