4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-(2-methyl-4-oxo-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-(4-keto-2-methyl-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C27H27N5O2/c1-19-28-25-6-4-3-5-24(25)27(34)32(19)23-11-7-20(8-12-23)26(33)29-21-9-13-22(14-10-21)31-17-15-30(2)16-18-31/h3-14H,15-18H2,1-2H3,(H,29,33)/p+1