N-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]phenyl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O2S/c1-17(27)24-20-6-8-21(9-7-20)29-16-22(28)26-12-10-25(11-13-26)15-19-4-2-18(14-23)3-5-19/h2-9H,10-13,15-16H2,1H3,(H,24,27)/p+1