4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-7-carboxylate

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-7-carboxylate Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-7-carboxylate CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-7-quinazolinecarboxylate IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-7-carboxylate Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinazoline-7-carboxylate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

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