N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(methylthio)nicotinamide Formula: C19H24ClN4OS+ MolecularWeight: 391.93806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4OS/c1-3-23-9-11-24(12-10-23)17-7-6-14(20)13-16(17)22-18(25)15-5-4-8-21-19(15)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,22,25)/p+1