N-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[[(2R)-2-oxolanyl]methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-carboxamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H24FN3O2/c18-14-4-6-15(7-5-14)19-17(22)21-9-2-8-20(10-11-21)13-16-3-1-12-23-16/h4-7,16H,1-3,8-13H2,(H,19,22)/p+1/t16-/m1/s1