N-tert-butyl-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(2-ketopyrrolidino)benzoyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C22H32N4O3/c1-22(2,3)23-19(27)16-24-11-5-12-25(15-14-24)21(29)17-7-9-18(10-8-17)26-13-4-6-20(26)28/h7-10H,4-6,11-16H2,1-3H3,(H,23,27)/p+1