N-tert-butyl-2-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2-keto-1,3-benzoxazol-3-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide Formula: C20H32N4O3+2 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCC[NH+](CC1)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCC[NH+](CC1)CCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C20H30N4O3/c1-20(2,3)21-18(25)15-23-10-6-9-22(11-12-23)13-14-24-16-7-4-5-8-17(16)27-19(24)26/h4-5,7-8H,6,9-15H2,1-3H3,(H,21,25)/p+2