2-butyl-3-methyl-1-phenacyl-quinazolin-3-ium-4-one

Systemtic Name: 2-butyl-3-methyl-1-phenacyl-quinazolin-3-ium-4-one Openeye Name: 2-butyl-3-methyl-1-phenacyl-quinazolin-3-ium-4-one CAS Name: 2-butyl-3-methyl-1-phenacyl-4-quinazolin-3-iumone IUPAC Name: 2-butyl-3-methyl-1-phenacylquinazolin-3-ium-4-one Traditional Name: 2-butyl-3-methyl-1-phenacyl-quinazolin-3-ium-4-one Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=O)C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=[N+](C(=O)C2=CC=CC=C2N1CC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N2O2/c1-3-4-14-20-22(2)21(25)17-12-8-9-13-18(17)23(20)15-19(24)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3/q+1