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

Systemtic Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(3-methylbenzyl)piperazin-4-ium Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-4-27-21-10-9-20(16-22(21)28-5-2)29(25,26)24-13-11-23(12-14-24)17-19-8-6-7-18(3)15-19/h6-10,15-16H,4-5,11-14,17H2,1-3H3/p+1