4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-2-pyridin-3-yl-quinazoline Openeye Name: 4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-2-pyridin-3-ylquinazoline Traditional Name: 4-(4-pyridin-1-ium-4-ylpiperazino)-2-(3-pyridyl)quinazoline Formula: C22H21N6+ MolecularWeight: 369.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C22H20N6/c1-2-6-20-19(5-1)22(26-21(25-20)17-4-3-9-24-16-17)28-14-12-27(13-15-28)18-7-10-23-11-8-18/h1-11,16H,12-15H2/p+1