N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-(2-ketopyrrolidino)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C22H27N5O2/c1-25-11-13-26(14-12-25)20-9-4-17(15-23-20)16-24-22(29)18-5-7-19(8-6-18)27-10-2-3-21(27)28/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,29)/p+1