4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H23N6+ MolecularWeight: 407.49032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H22N6/c26-16-19-7-9-20(10-8-19)18-30-12-14-31(15-13-30)25-22-5-1-2-6-23(22)28-24(29-25)21-4-3-11-27-17-21/h1-11,17H,12-15,18H2/p+1