[4-(phenylmethyl)piperazin-1-yl]methanesulfonic acid

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]methanesulfonic acid Openeye Name: (4-benzylpiperazin-1-yl)methanesulfonic acid CAS Name: [4-(phenylmethyl)-1-piperazinyl]methanesulfonic acid IUPAC Name: (4-benzylpiperazin-1-yl)methanesulfonic acid Traditional Name: (4-benzylpiperazino)methanesulfonic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CS(=O)(=O)O

InChI

InChI=1S/C12H18N2O3S/c15-18(16,17)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,16,17)