2-[5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile

Systemtic Name: 2-[5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile Openeye Name: 2-[5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]acetonitrile CAS Name: 2-[5,8-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinyl]acetonitrile IUPAC Name: 2-[5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]acetonitrile Traditional Name: 2-[5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]acetonitrile Formula: C18H23N4+ MolecularWeight: 295.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)N3CC[NH+](CC3)C)CC#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)N3CC[NH+](CC3)C)CC#N

InChI

InChI=1S/C18H22N4/c1-13-4-5-14(2)17-16(13)12-15(6-7-19)18(20-17)22-10-8-21(3)9-11-22/h4-5,12H,6,8-11H2,1-3H3/p+1