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

Systemtic Name: 2,4-dimethyl-5-phenyl-3-(phenylmethyl)-1H-pyrimidin-3-ium-6-one perchlorate Openeye Name: 3-benzyl-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate CAS Name: 2,4-dimethyl-5-phenyl-3-(phenylmethyl)-1H-pyrimidin-3-ium-6-one perchlorate IUPAC Name: 3-benzyl-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate Traditional Name: 3-benzyl-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-6-one perchlorate Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=[N+]1CC2=CC=CC=C2)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C(=O)NC(=[N+]1CC2=CC=CC=C2)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H18N2O.ClHO4/c1-14-18(17-11-7-4-8-12-17)19(22)20-15(2)21(14)13-16-9-5-3-6-10-16;2-1(3,4)5/h3-12H,13H2,1-2H3;(H,2,3,4,5)