[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c1-29-24-13-7-20(8-14-24)19-26-15-17-27(18-16-26)25(28)23-11-9-22(10-12-23)21-5-3-2-4-6-21/h2-14H,15-19H2,1H3/p+1