N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]nicotinamide Formula: C17H20ClN4O+ MolecularWeight: 331.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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