N'-(6-chloranyl-4-pyridin-4-yl-quinazolin-2-yl)-2-piperidin-1-ium-1-yl-ethanehydrazide

Systemtic Name: N'-(6-chloranyl-4-pyridin-4-yl-quinazolin-2-yl)-2-piperidin-1-ium-1-yl-ethanehydrazide Openeye Name: N'-[6-chloro-4-(4-pyridyl)quinazolin-2-yl]-2-piperidin-1-ium-1-yl-acetohydrazide CAS Name: N'-(6-chloro-4-pyridin-4-yl-2-quinazolinyl)-2-(1-piperidin-1-iumyl)acetohydrazide IUPAC Name: N'-(6-chloro-4-pyridin-4-ylquinazolin-2-yl)-2-piperidin-1-ium-1-ylacetohydrazide Traditional Name: N'-[6-chloro-4-(4-pyridyl)quinazolin-2-yl]-2-piperidin-1-ium-1-yl-acetohydrazide Formula: C20H22ClN6O+ MolecularWeight: 397.88128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN6O/c21-15-4-5-17-16(12-15)19(14-6-8-22-9-7-14)24-20(23-17)26-25-18(28)13-27-10-2-1-3-11-27/h4-9,12H,1-3,10-11,13H2,(H,25,28)(H,23,24,26)/p+1