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

Systemtic Name: disodium [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] ethanoate Openeye Name: disodium [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] acetate CAS Name: disodium acetic acid [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] ester IUPAC Name: disodium [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] acetate Traditional Name: disodium acetic acid [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] ester Formula: C22H28N2Na2O2+2 MolecularWeight: 398.44946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1CCCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+]

Isomeric SMILES

CC(=O)ON1CCCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Na+]

InChI

InChI=1S/C22H28N2O2.2Na/c1-19(25)26-24-15-8-14-23(17-18-24)16-13-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21;;/h2-7,9-12,22H,8,13-18H2,1H3;;/q;2*+1