2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2-furfuryl)piperazin-1-ium-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23N3O2S/c1-24-17-6-2-4-15(12-17)19-18(22)14-21-9-7-20(8-10-21)13-16-5-3-11-23-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,19,22)/p+1