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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-methylbenzyl)-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H26N2O3S/c1-3-25-19-7-9-20(10-8-19)26(23,24)22-13-11-21(12-14-22)16-18-6-4-5-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3/p+1