sodium 2-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]ethanoate hydrate

Systemtic Name: sodium 2-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]ethanoate hydrate Openeye Name: sodium 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]acetate hydrate CAS Name: sodium 2-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]acetate hydrate IUPAC Name: sodium 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]acetate hydrate Traditional Name: sodium 2-[4-(2-benzhydryloxyethyl)piperazino]acetate hydrate Formula: C21H27N2NaO4 MolecularWeight: 394.43985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)[O-].O.[Na+]

Isomeric SMILES

C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)[O-].O.[Na+]

InChI

InChI=1S/C21H26N2O3.Na.H2O/c24-20(25)17-23-13-11-22(12-14-23)15-16-26-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,21H,11-17H2,(H,24,25);;1H2/q;+1;/p-1