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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-esyl-piperazin-1-ium Formula: C15H25N2O4S+ MolecularWeight: 329.435

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C15H24N2O4S/c1-4-22(18,19)17-9-7-16(8-10-17)12-13-11-14(20-2)5-6-15(13)21-3/h5-6,11H,4,7-10,12H2,1-3H3/p+1