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

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

Systemtic Name:1-(4-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium
Openeye Name:1-(p-tolylsulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium
CAS Name:1-(4-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium
IUPAC Name:1-(4-methylphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium
Traditional Name:1-tosyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium
Formula: C21H29N2O5S+
MolecularWeight: 421.53036
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC


InChI

InChI=1S/C21H28N2O5S/c1-16-5-8-18(9-6-16)29(24,25)23-13-11-22(12-14-23)15-17-7-10-19(26-2)21(28-4)20(17)27-3/h5-10H,11-15H2,1-4H3/p+1


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