1-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: 1-(6-bromanyl-4-phenyl-quinazolin-2-yl)piperidin-1-ium-4-carboxylate Openeye Name: 1-(6-bromo-4-phenyl-quinazolin-2-yl)piperidin-1-ium-4-carboxylate CAS Name: 1-(6-bromo-4-phenyl-2-quinazolinyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 1-(6-bromo-4-phenylquinazolin-2-yl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(6-bromo-4-phenyl-quinazolin-2-yl)piperidin-1-ium-4-carboxylate Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H18BrN3O2/c21-15-6-7-17-16(12-15)18(13-4-2-1-3-5-13)23-20(22-17)24-10-8-14(9-11-24)19(25)26/h1-7,12,14H,8-11H2,(H,25,26)