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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-(methylthio)nicotinamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-4-23-10-12-24(13-11-23)18-8-7-16(14-15(18)2)22-19(25)17-6-5-9-21-20(17)26-3/h5-9,14H,4,10-13H2,1-3H3,(H,22,25)/p+1