1-[(1R)-1-cyclobutylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1R)-1-cyclobutylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-1-cyclobutylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1R)-1-cyclobutylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1R)-1-cyclobutylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-1-cyclobutylethyl]-4-(4-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C18H26FN2O+ MolecularWeight: 305.410243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC1)[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C1CCC1)[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN2O/c1-14(16-3-2-4-16)20-10-9-18(22)21(12-11-20)13-15-5-7-17(19)8-6-15/h5-8,14,16H,2-4,9-13H2,1H3/p+1/t14-/m1/s1