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

Systemtic Name: 1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-esyl-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C16H27N2O5S+ MolecularWeight: 359.46098

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C16H26N2O5S/c1-5-24(19,20)18-8-6-17(7-9-18)12-13-10-15(22-3)16(23-4)11-14(13)21-2/h10-11H,5-9,12H2,1-4H3/p+1