3-(4-dimethylaminophenyl)-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate

Systemtic Name: 3-(4-dimethylaminophenyl)-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate Openeye Name: 3-(4-dimethylaminophenyl)-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate CAS Name: 3-(4-dimethylaminophenyl)-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate IUPAC Name: 3-(4-dimethylaminophenyl)-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate Traditional Name: 3-(4-dimethylaminophenyl)-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=[N+]1C2=CC=C(C=C2)N(C)C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C(=O)NC(=[N+]1C2=CC=C(C=C2)N(C)C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H21N3O.ClHO4/c1-14-19(16-8-6-5-7-9-16)20(24)21-15(2)23(14)18-12-10-17(11-13-18)22(3)4;2-1(3,4)5/h5-13H,1-4H3;(H,2,3,4,5)