sodium 4-(3-oxidanyl-4-phenoxy-1-piperazin-1-yl-butyl)benzoate

Systemtic Name: sodium 4-(3-oxidanyl-4-phenoxy-1-piperazin-1-yl-butyl)benzoate Openeye Name: sodium 4-(3-hydroxy-4-phenoxy-1-piperazin-1-yl-butyl)benzoate CAS Name: sodium 4-[3-hydroxy-4-phenoxy-1-(1-piperazinyl)butyl]benzoate IUPAC Name: sodium 4-(3-hydroxy-4-phenoxy-1-piperazin-1-ylbutyl)benzoate Traditional Name: sodium 4-(3-hydroxy-4-phenoxy-1-piperazino-butyl)benzoate Formula: C21H25N2NaO4 MolecularWeight: 392.42397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

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