2-methoxy-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-methylsulfanyl-benzamide

Systemtic Name: 2-methoxy-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-methylsulfanyl-benzamide Openeye Name: 2-methoxy-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-methylsulfanyl-benzamide CAS Name: 2-methoxy-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-(methylthio)benzamide IUPAC Name: 2-methoxy-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-methylsulfanylbenzamide Traditional Name: 2-methoxy-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(methylthio)benzamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-22-8-10-23(11-9-22)18-7-4-14(13-20-18)21-19(24)16-6-5-15(26-3)12-17(16)25-2/h4-7,12-13H,8-11H2,1-3H3,(H,21,24)/p+1