N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-4-(methylthio)benzamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H27N3O2S/c1-4-23-11-13-24(14-12-23)19-8-6-5-7-18(19)22-21(25)17-10-9-16(27-3)15-20(17)26-2/h5-10,15H,4,11-14H2,1-3H3,(H,22,25)/p+1