1-ethyl-2-methyl-3-(2-methylphenyl)quinazolin-1-ium-4-one perchlorate

Systemtic Name: 1-ethyl-2-methyl-3-(2-methylphenyl)quinazolin-1-ium-4-one perchlorate Openeye Name: 1-ethyl-2-methyl-3-(o-tolyl)quinazolin-1-ium-4-one perchlorate CAS Name: 1-ethyl-2-methyl-3-(2-methylphenyl)-4-quinazolin-1-iumone perchlorate IUPAC Name: 1-ethyl-2-methyl-3-(2-methylphenyl)quinazolin-1-ium-4-one perchlorate Traditional Name: 1-ethyl-2-methyl-3-(o-tolyl)quinazolin-1-ium-4-one perchlorate Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H19N2O.ClHO4/c1-4-19-14(3)20(16-11-7-5-9-13(16)2)18(21)15-10-6-8-12-17(15)19;2-1(3,4)5/h5-12H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1