N-(furan-2-ylmethyl)-2-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-(2-furanylmethyl)-2-[[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]thio]-N-(2-furfuryl)acetamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H27N3O3S/c29-24(26-17-21-9-6-16-31-21)19-32-23-11-5-4-10-22(23)25(30)28-14-12-27(13-15-28)18-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19H2,(H,26,29)/p+1