2-[8-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile

Systemtic Name: 2-[8-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile Openeye Name: 2-[8-methyl-2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]acetonitrile CAS Name: 2-[8-methyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinyl]acetonitrile IUPAC Name: 2-[8-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]acetonitrile Traditional Name: 2-[8-methyl-2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]acetonitrile Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)N3CC[NH+](CC3)C)CC#N

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)N3CC[NH+](CC3)C)CC#N

InChI

InChI=1S/C17H20N4/c1-13-4-3-5-14-12-15(6-7-18)17(19-16(13)14)21-10-8-20(2)9-11-21/h3-5,12H,6,8-11H2,1-2H3/p+1