3-[4-(phenylmethyl)piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-benzylpiperazino)propane-1-sulfonic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H22N2O3S/c17-20(18,19)12-4-7-15-8-10-16(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,17,18,19)