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

Systemtic Name: 4-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzamide Openeye Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzamide CAS Name: 4-chloro-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzamide Traditional Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]benzamide Formula: C17H21ClN4O+2 MolecularWeight: 332.82784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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