sodium 2-[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: sodium 2-[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: sodium 2-[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]acetate CAS Name: sodium 2-[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]acetate IUPAC Name: sodium 2-[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]acetate Traditional Name: sodium 2-[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]acetate Formula: C22H27N2NaO2 MolecularWeight: 374.45175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)[O-])CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCN(C1)CC(=O)[O-])CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H28N2O2.Na/c25-22(26)18-24-14-7-13-23(16-17-24)15-12-21(19-8-3-1-4-9-19)20-10-5-2-6-11-20;/h1-6,8-11,21H,7,12-18H2,(H,25,26);/q;+1/p-1