sodium [4-(phenylmethyl)piperazin-1-yl]methanesulfonate

Systemtic Name: sodium [4-(phenylmethyl)piperazin-1-yl]methanesulfonate Openeye Name: sodium (4-benzylpiperazin-1-yl)methanesulfonate CAS Name: sodium [4-(phenylmethyl)-1-piperazinyl]methanesulfonate IUPAC Name: sodium (4-benzylpiperazin-1-yl)methanesulfonate Traditional Name: sodium (4-benzylpiperazino)methanesulfonate Formula: C12H17N2NaO3S MolecularWeight: 292.32975

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H18N2O3S.Na/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);/q;+1/p-1