N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)quinazolin-4-amine chloride

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)quinazolin-4-amine chloride Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)quinazolin-4-amine chloride CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-(4-nitrophenyl)-4-quinazolinamine chloride IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)quinazolin-4-amine chloride Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-(4-nitrophenyl)quinazolin-4-yl]amine chloride Formula: C21H24ClN5O2 MolecularWeight: 413.90056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H23N5O2.ClH/c1-24-13-11-16(12-14-24)25(2)21-18-5-3-4-6-19(18)22-20(23-21)15-7-9-17(10-8-15)26(27)28;/h3-10,16H,11-14H2,1-2H3;1H