4-chloranyl-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide chloride

Systemtic Name: 4-chloranyl-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide chloride Openeye Name: 4-chloro-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide chloride CAS Name: 4-chloro-N-[2-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]benzamide chloride IUPAC Name: 4-chloro-N-[2-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]benzamide chloride Traditional Name: 4-chloro-N-[2-(4-methylpiperazino)pyridin-1-ium-3-yl]benzamide chloride Formula: C17H20Cl2N4O MolecularWeight: 367.2729

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=[NH+]2)NC(=O)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=[NH+]2)NC(=O)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C17H19ClN4O.ClH/c1-21-9-11-22(12-10-21)16-15(3-2-8-19-16)20-17(23)13-4-6-14(18)7-5-13;/h2-8H,9-12H2,1H3,(H,20,23);1H