2-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]quinazolin-4-olate

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]quinazolin-4-olate Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]quinazolin-4-olate CAS Name: 2-[[3-(4-methyl-1-piperazin-4-iumyl)propylamino]-oxomethyl]-4-quinazolinolate IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]quinazolin-4-olate Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propylcarbamoyl]quinazolin-4-olate Formula: C17H23N5O2 MolecularWeight: 329.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C17H23N5O2/c1-21-9-11-22(12-10-21)8-4-7-18-17(24)15-19-14-6-3-2-5-13(14)16(23)20-15/h2-3,5-6H,4,7-12H2,1H3,(H,18,24)(H,19,20,23)