2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetamide Formula: C27H30N5OS+ MolecularWeight: 472.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N5OS/c1-20-16-21(2)29-27(25(20)17-28)34-19-26(33)30-23-8-10-24(11-9-23)32-14-12-31(13-15-32)18-22-6-4-3-5-7-22/h3-11,16H,12-15,18-19H2,1-2H3,(H,30,33)/p+1