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

Systemtic Name: N-tert-butyl-2-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)21-17(24)14-22-9-4-10-23(12-11-22)18(25)16-7-5-15(13-20)6-8-16/h5-8H,4,9-12,14H2,1-3H3,(H,21,24)/p+1