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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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