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

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]quinoline-3-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]quinoline-3-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-quinolinecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]quinoline-3-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]quinoline-3-carboxamide Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H23N5O2/c1-16(28)26-9-11-27(12-10-26)21-18(6-4-8-23-21)14-25-22(29)19-13-17-5-2-3-7-20(17)24-15-19/h2-8,13,15H,9-12,14H2,1H3,(H,25,29)/p+1