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

Systemtic Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C17H26FN2O2+ MolecularWeight: 309.398943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN2O2/c1-14(13-15-3-5-16(18)6-4-15)19-8-7-17(21)20(10-9-19)11-12-22-2/h3-6,14H,7-13H2,1-2H3/p+1/t14-/m1/s1