N-[(4-methylsulfanylphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(4-methylsulfanylphenyl)methyleneamino]acetamide CAS Name: N-[[4-(methylthio)phenyl]methylideneamino]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[[4-(methylthio)benzylidene]amino]acetamide Formula: C21H28N4OS+2 MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-27-20-9-7-18(8-10-20)15-22-23-21(26)17-25-13-11-24(12-14-25)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3,(H,23,26)/p+2