2-[7-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile

Systemtic Name: 2-[7-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile Openeye Name: 2-[7-methyl-2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]acetonitrile CAS Name: 2-[7-methyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinyl]acetonitrile IUPAC Name: 2-[7-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]acetonitrile Traditional Name: 2-[7-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=CC2=NC(=C(C=C2C=C1)CC#N)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CC#N)N3CC[NH+](CC3)C

InChI

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