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

Systemtic Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]propanenitrile Openeye Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]propanenitrile CAS Name: 3-[2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinyl]propanenitrile IUPAC Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]propanenitrile Traditional Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]propionitrile Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C=C2CCC#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C=C2CCC#N

InChI

InChI=1S/C17H20N4/c1-20-9-11-21(12-10-20)17-15(6-4-8-18)13-14-5-2-3-7-16(14)19-17/h2-3,5,7,13H,4,6,9-12H2,1H3/p+1