1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]-4-(4-pyridylmethyl)-1,4-diazepan-1-ium-5-one Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1F)[NH+]2CCC(=O)N(CC2)CC3=CC=NC=C3

Isomeric SMILES

C[C@H](CC1=CC=CC=C1F)[NH+]2CCC(=O)N(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H24FN3O/c1-16(14-18-4-2-3-5-19(18)21)23-11-8-20(25)24(13-12-23)15-17-6-9-22-10-7-17/h2-7,9-10,16H,8,11-15H2,1H3/p+1/t16-/m1/s1