N-(2-cyanoethyl)-2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H22FN4O2+ MolecularWeight: 333.380583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)F)CC(=O)NCCC#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)F)CC(=O)NCCC#N

InChI

InChI=1S/C17H21FN4O2/c18-15-5-1-4-14(12-15)17(24)22-9-3-8-21(10-11-22)13-16(23)20-7-2-6-19/h1,4-5,12H,2-3,7-11,13H2,(H,20,23)/p+1