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

Systemtic Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2OS/c1-23-18-9-7-16(8-10-18)15-20-11-13-21(14-12-20)19(22)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/p+1