4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-5-carboxylate

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-5-carboxylate Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-5-carboxylate CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-5-quinazolinecarboxylate IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-5-carboxylate Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-5-carboxylate Formula: C16H20N4O2 MolecularWeight: 300.3556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-19-8-6-11(7-9-19)20(2)15-14-12(16(21)22)4-3-5-13(14)17-10-18-15/h3-5,10-11H,6-9H2,1-2H3,(H,21,22)