2-[4-[(4-azanylquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-azanylquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-aminoquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-amino-2-quinazolin-3-iumyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-aminoquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-aminoquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C19H21N7+2 MolecularWeight: 347.41694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C19H19N7/c20-12-14-5-6-22-18(11-14)26-9-7-25(8-10-26)13-17-23-16-4-2-1-3-15(16)19(21)24-17/h1-6,11H,7-10,13H2,(H2,21,23,24)/p+2