sodium 4-[4-(3-oxidanyl-4-phenoxy-butyl)piperazin-1-yl]benzoic acid

Systemtic Name: sodium 4-[4-(3-oxidanyl-4-phenoxy-butyl)piperazin-1-yl]benzoic acid Openeye Name: sodium 4-[4-(3-hydroxy-4-phenoxy-butyl)piperazin-1-yl]benzoic acid CAS Name: sodium 4-[4-(3-hydroxy-4-phenoxybutyl)-1-piperazinyl]benzoic acid IUPAC Name: sodium 4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzoic acid Traditional Name: sodium 4-[4-(3-hydroxy-4-phenoxy-butyl)piperazino]benzoic acid Formula: C21H26N2NaO4+ MolecularWeight: 393.43191

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O.[Na+]

Isomeric SMILES

C1CN(CCN1CCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O.[Na+]

InChI

InChI=1S/C21H26N2O4.Na/c24-19(16-27-20-4-2-1-3-5-20)10-11-22-12-14-23(15-13-22)18-8-6-17(7-9-18)21(25)26;/h1-9,19,24H,10-16H2,(H,25,26);/q;+1