N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C12H17FN3O+ MolecularWeight: 238.281283

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)NC2=CC=CC=C2F

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C12H16FN3O/c13-10-4-1-2-5-11(10)15-12(17)16-8-3-6-14-7-9-16/h1-2,4-5,14H,3,6-9H2,(H,15,17)/p+1