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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-[(methylthio)methyl]benzamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4OS/c1-22-8-10-23(11-9-22)18-7-6-17(13-20-18)21-19(24)16-5-3-4-15(12-16)14-25-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,24)/p+1