4,6-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C17H21N5+2 MolecularWeight: 295.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C17H19N5/c1-13-11-14(2)20-17(15(13)12-18)22-9-7-21(8-10-22)16-5-3-4-6-19-16/h3-6,11H,7-10H2,1-2H3/p+2