4-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[(3S)-3-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[(3S)-3-(4-fluorophenyl)-3-oxolanyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[(3S)-3-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C17H24FN2O2+ MolecularWeight: 307.383063

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C=O)CC2(CCOC2)C3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C=O)C[C@]2(CCOC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H23FN2O2/c18-16-4-2-15(3-5-16)17(6-11-22-13-17)12-19-7-1-8-20(14-21)10-9-19/h2-5,14H,1,6-13H2/p+1/t17-/m0/s1