potassium N-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]sulfamate

Systemtic Name: potassium N-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]sulfamate Openeye Name: potassium N-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]sulfamate CAS Name: potassium N-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propyl]sulfamate IUPAC Name: potassium N-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]sulfamate Traditional Name: potassium N-[3-(4-benzylpiperazino)-2-hydroxy-propyl]sulfamate Formula: C14H22KN3O4S MolecularWeight: 367.50548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(CNS(=O)(=O)[O-])O.[K+]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(CNS(=O)(=O)[O-])O.[K+]

InChI

InChI=1S/C14H23N3O4S.K/c18-14(10-15-22(19,20)21)12-17-8-6-16(7-9-17)11-13-4-2-1-3-5-13;/h1-5,14-15,18H,6-12H2,(H,19,20,21);/q;+1/p-1