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

Systemtic Name: N-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]sulfamate Openeye Name: N-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]sulfamate CAS Name: N-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]sulfamate IUPAC Name: N-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropyl]sulfamate Traditional Name: N-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]sulfamate Formula: C14H23N3O4S MolecularWeight: 329.41512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(CNS(=O)(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](CNS(=O)(=O)[O-])O

InChI

InChI=1S/C14H23N3O4S/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)/t14-/m0/s1