4-(4-chlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-24-12-14-25(15-13-24)19-8-6-18(7-9-19)23-21(26)3-2-16-27-20-10-4-17(22)5-11-20/h4-11H,2-3,12-16H2,1H3,(H,23,26)/p+1