N-tert-butyl-2-[4-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(2-keto-1,3-benzoxazol-3-yl)butanoyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H33N4O4+ MolecularWeight: 417.52182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H32N4O4/c1-22(2,3)23-19(27)16-24-11-7-12-25(15-14-24)20(28)10-6-13-26-17-8-4-5-9-18(17)30-21(26)29/h4-5,8-9H,6-7,10-16H2,1-3H3,(H,23,27)/p+1