3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propane-1-sulfonate Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCCS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H22N2O4S/c1-20-14-5-2-4-13(12-14)16-9-7-15(8-10-16)6-3-11-21(17,18)19/h2,4-5,12H,3,6-11H2,1H3,(H,17,18,19)