1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-o-veratryl-4-propylsulfonyl-piperazin-1-ium Formula: C16H27N2O4S+ MolecularWeight: 343.46158

Click to see the large picture

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