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

Systemtic Name: 4-cyano-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide Openeye Name: 4-cyano-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide CAS Name: 4-cyano-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-cyano-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide Traditional Name: 4-cyano-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide Formula: C19H22N5O+ MolecularWeight: 336.41088

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O/c1-23-8-10-24(11-9-23)18-7-4-16(13-21-18)14-22-19(25)17-5-2-15(12-20)3-6-17/h2-7,13H,8-11,14H2,1H3,(H,22,25)/p+1