1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethylbenzyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C21H29N2S+ MolecularWeight: 341.53336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28N2S/c1-3-18-4-6-19(7-5-18)16-22-12-14-23(15-13-22)17-20-8-10-21(24-2)11-9-20/h4-11H,3,12-17H2,1-2H3/p+1