2-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]ethanenitrile

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]ethanenitrile Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]acetonitrile CAS Name: 2-[2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]acetonitrile IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]acetonitrile Traditional Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]acetonitrile Formula: C16H20N4+2 MolecularWeight: 268.3568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2CC#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2CC#N

InChI

InChI=1S/C16H18N4/c1-19-8-10-20(11-9-19)16-14(6-7-17)12-13-4-2-3-5-15(13)18-16/h2-5,12H,6,8-11H2,1H3/p+2