6-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Formula: C19H21N7+2 MolecularWeight: 347.41694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)N)C4=[NH+]C=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)N)C4=[NH+]C=C(C=C4)C#N

InChI

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