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

Systemtic Name: sodium [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] ethanoate Openeye Name: sodium [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] acetate CAS Name: sodium acetic acid [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] ester IUPAC Name: sodium [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] acetate Traditional Name: sodium acetic acid [4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl] ester Formula: C22H28N2NaO2+ MolecularWeight: 375.45969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2.Na/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;+1