2-[6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile

Systemtic Name: 2-[6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]ethanenitrile Openeye Name: 2-[6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)-3-quinolyl]acetonitrile CAS Name: 2-[6,8-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinyl]acetonitrile IUPAC Name: 2-[6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]acetonitrile Traditional Name: 2-[6,8-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=CC(=C2C(=C1)C=C(C(=N2)N3CC[NH+](CC3)C)CC#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)N3CC[NH+](CC3)C)CC#N)C

InChI

InChI=1S/C18H22N4/c1-13-10-14(2)17-16(11-13)12-15(4-5-19)18(20-17)22-8-6-21(3)7-9-22/h10-12H,4,6-9H2,1-3H3/p+1