1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethoxybenzyl)piperazin-4-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

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