2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]ethanesulfonate IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Formula: C17H29N3O7S MolecularWeight: 419.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-].C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-].C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C8H18N2O4S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h1-4,8,11H,5,10H2,(H,12,13);11H,1-8H2,(H,12,13,14)