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

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

Systemtic Name:1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
Openeye Name:1-[(3,4-dimethoxyphenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name:1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC Name:1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
Traditional Name:1-tosyl-4-veratryl-piperazin-4-ium
Formula: C20H27N2O4S+
MolecularWeight: 391.50438
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H26N2O4S/c1-16-4-7-18(8-5-16)27(23,24)22-12-10-21(11-13-22)15-17-6-9-19(25-2)20(14-17)26-3/h4-9,14H,10-13,15H2,1-3H3/p+1


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