2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-6,8-bis(bromanyl)quinazolin-4-olate

Systemtic Name: 2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-6,8-bis(bromanyl)quinazolin-4-olate Openeye Name: 6,8-dibromo-2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 6,8-dibromo-2-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 6,8-dibromo-2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C15H16Br2N4O2 MolecularWeight: 444.12114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

InChI

InChI=1S/C15H16Br2N4O2/c16-9-5-10-13(11(17)6-9)19-12(20-15(10)23)7-21-3-1-8(2-4-21)14(18)22/h5-6,8H,1-4,7H2,(H2,18,22)(H,19,20,23)