1-[2-(4-methylphenyl)sulfanylethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[2-(p-tolylsulfanyl)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[2-(p-tolylthio)ethyl]-4-(2,3,4-trimethoxybenzyl)piperazin-1-ium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH+]2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH+]2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C23H32N2O3S/c1-18-5-8-20(9-6-18)29-16-15-24-11-13-25(14-12-24)17-19-7-10-21(26-2)23(28-4)22(19)27-3/h5-10H,11-17H2,1-4H3/p+1