1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(3-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C19H26FN2O+ MolecularWeight: 317.420943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H25FN2O/c20-18-8-4-7-17(13-18)15-22-12-11-21(10-9-19(22)23)14-16-5-2-1-3-6-16/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/p+1/t16-/m1/s1