N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]quinoline-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]quinoline-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]quinoline-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-quinolinecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]quinoline-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]quinaldamide Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N4O/c1-24-12-14-25(15-13-24)20-9-5-4-8-18(20)23-21(26)19-11-10-16-6-2-3-7-17(16)22-19/h2-11H,12-15H2,1H3,(H,23,26)/p+1