N'-(6-bromanyl-4-phenyl-quinazolin-2-yl)-2-piperidin-1-ium-1-yl-ethanehydrazide

Systemtic Name: N'-(6-bromanyl-4-phenyl-quinazolin-2-yl)-2-piperidin-1-ium-1-yl-ethanehydrazide Openeye Name: N'-(6-bromo-4-phenyl-quinazolin-2-yl)-2-piperidin-1-ium-1-yl-acetohydrazide CAS Name: N'-(6-bromo-4-phenyl-2-quinazolinyl)-2-(1-piperidin-1-iumyl)acetohydrazide IUPAC Name: N'-(6-bromo-4-phenylquinazolin-2-yl)-2-piperidin-1-ium-1-ylacetohydrazide Traditional Name: N'-(6-bromo-4-phenyl-quinazolin-2-yl)-2-piperidin-1-ium-1-yl-acetohydrazide Formula: C21H23BrN5O+ MolecularWeight: 441.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NNC2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5O/c22-16-9-10-18-17(13-16)20(15-7-3-1-4-8-15)24-21(23-18)26-25-19(28)14-27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,25,28)(H,23,24,26)/p+1