1-[(2-ethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(2-ethoxybenzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2OCC

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2OCC

InChI

InChI=1S/C16H26N2O3S/c1-3-13-22(19,20)18-11-9-17(10-12-18)14-15-7-5-6-8-16(15)21-4-2/h5-8H,3-4,9-14H2,1-2H3/p+1