1-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-(4-methylphenyl)quinazolin-1-ium-4-one perchlorate

Systemtic Name: 1-[(E)-3-chloranylbut-2-enyl]-2-methyl-3-(4-methylphenyl)quinazolin-1-ium-4-one perchlorate Openeye Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(p-tolyl)quinazolin-1-ium-4-one perchlorate CAS Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(4-methylphenyl)-4-quinazolin-1-iumone perchlorate IUPAC Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(4-methylphenyl)quinazolin-1-ium-4-one perchlorate Traditional Name: 1-[(E)-3-chlorobut-2-enyl]-2-methyl-3-(p-tolyl)quinazolin-1-ium-4-one perchlorate Formula: C20H20Cl2N2O5 MolecularWeight: 439.2892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=[N+](C3=CC=CC=C3C2=O)CC=C(C)Cl)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=[N+](C3=CC=CC=C3C2=O)C/C=C(\C)/Cl)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H20ClN2O.ClHO4/c1-14-8-10-17(11-9-14)23-16(3)22(13-12-15(2)21)19-7-5-4-6-18(19)20(23)24;2-1(3,4)5/h4-12H,13H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b15-12+;