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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-methyl-acetamide Formula: C18H24FN4O2+ MolecularWeight: 347.407163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN4O2/c1-21(9-2-8-20)17(24)14-22-10-3-11-23(13-12-22)18(25)15-4-6-16(19)7-5-15/h4-7H,2-3,9-14H2,1H3/p+1