2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-4-amine

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-4-amine Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-4-amine CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-quinazolin-3-iumamine IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinazolin-3-ium-4-amine Traditional Name: [2-(4-pyridin-1-ium-2-ylpiperazino)quinazolin-3-ium-4-yl]amine Formula: C17H20N6+2 MolecularWeight: 308.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC4=CC=CC=C4C(=[NH+]3)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC4=CC=CC=C4C(=[NH+]3)N

InChI

InChI=1S/C17H18N6/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15/h1-8H,9-12H2,(H2,18,20,21)/p+2