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

Systemtic Name: 6-azanyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile Openeye Name: 6-amino-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile CAS Name: 6-amino-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarbonitrile IUPAC Name: 6-amino-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile Traditional Name: 6-amino-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonitrile Formula: C15H18N5+ MolecularWeight: 268.33692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(C=C(C=C3)N)C=C2C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(C=C(C=C3)N)C=C2C#N

InChI

InChI=1S/C15H17N5/c1-19-4-6-20(7-5-19)15-12(10-16)8-11-9-13(17)2-3-14(11)18-15/h2-3,8-9H,4-7,17H2,1H3/p+1