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

Systemtic Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)F)[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](CC1=CC=C(C=C1)F)[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H27FN2O2/c1-18(17-19-7-9-20(23)10-8-19)24-12-11-22(26)25(14-13-24)15-16-27-21-5-3-2-4-6-21/h2-10,18H,11-17H2,1H3/p+1/t18-/m1/s1