2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile Formula: C15H17N4+ MolecularWeight: 253.32228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C=C2C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C=C2C#N

InChI

InChI=1S/C15H16N4/c1-18-6-8-19(9-7-18)15-13(11-16)10-12-4-2-3-5-14(12)17-15/h2-5,10H,6-9H2,1H3/p+1