1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-(3-phenoxybenzyl)piperazin-1-ium Formula: C25H29N2OS+ MolecularWeight: 405.57556

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2OS/c1-29-25-12-10-21(11-13-25)19-26-14-16-27(17-15-26)20-22-6-5-9-24(18-22)28-23-7-3-2-4-8-23/h2-13,18H,14-17,19-20H2,1H3/p+1