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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C16H27N2O4S+ MolecularWeight: 343.46158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-4-11-23(19,20)18-9-7-17(8-10-18)13-14-12-15(21-2)5-6-16(14)22-3/h5-6,12H,4,7-11,13H2,1-3H3/p+1