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

Systemtic Name: N-(4-fluorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-phenethyl-1,4-diazepan-4-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)F)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)F)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O/c21-18-7-9-19(10-8-18)22-20(25)24-13-4-12-23(15-16-24)14-11-17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2,(H,22,25)/p+1