1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4-oxo-quinoline-3-carboxamide CAS Name: 1-methyl-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-oxoquinoline-3-carboxamide Traditional Name: 4-keto-1-methyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]quinoline-3-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CN(C4=CC=CC=C4C3=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CN(C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H25N5O2/c1-25-10-12-27(13-11-25)21-16(6-5-9-23-21)14-24-22(29)18-15-26(2)19-8-4-3-7-17(19)20(18)28/h3-9,15H,10-14H2,1-2H3,(H,24,29)/p+1