4-(4-chlorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C20H26ClN4OS+ MolecularWeight: 405.96464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4OS/c1-24-10-12-25(13-11-24)19-9-6-17(15-22-19)23-20(26)3-2-14-27-18-7-4-16(21)5-8-18/h4-9,15H,2-3,10-14H2,1H3,(H,23,26)/p+1