2-chloranyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-(methylthio)benzamide Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C20H24ClN3OS/c1-14-12-15(24-10-8-23(2)9-11-24)4-7-19(14)22-20(25)17-13-16(26-3)5-6-18(17)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)/p+1