N-[2,4-bis(fluoranyl)phenyl]-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H24F2N3O2+ MolecularWeight: 376.420266

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)CCOC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H23F2N3O2/c21-16-7-8-19(18(22)15-16)23-20(26)25-10-4-9-24(11-12-25)13-14-27-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,23,26)/p+1