[(2R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propyl]sulfamic acid

Systemtic Name: [(2R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propyl]sulfamic acid Openeye Name: [(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]sulfamic acid CAS Name: [(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propyl]sulfamic acid IUPAC Name: [(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]sulfamic acid Traditional Name: [(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]sulfamic acid Formula: C14H24N3O5S+ MolecularWeight: 346.42246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(CNS(=O)(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](CNS(=O)(=O)O)O

InChI

InChI=1S/C14H23N3O5S/c1-22-14-5-3-2-4-13(14)17-8-6-16(7-9-17)11-12(18)10-15-23(19,20)21/h2-5,12,15,18H,6-11H2,1H3,(H,19,20,21)/p+1/t12-/m0/s1