5-azanyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 5-azanyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-amino-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzonitrile CAS Name: 5-amino-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-amino-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzonitrile Traditional Name: 5-amino-2-(4-pyridin-1-ium-2-ylpiperazino)benzonitrile Formula: C16H18N5+ MolecularWeight: 280.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N)C#N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N)C#N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17N5/c17-12-13-11-14(18)4-5-15(13)20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,18H2/p+1