1-[(1R)-1-cyclobutylethyl]-4-[2-(4-fluoranylphenoxy)ethyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1R)-1-cyclobutylethyl]-4-[2-(4-fluoranylphenoxy)ethyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-1-cyclobutylethyl]-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1R)-1-cyclobutylethyl]-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1R)-1-cyclobutylethyl]-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-1-cyclobutylethyl]-4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-ium-5-one Formula: C19H28FN2O2+ MolecularWeight: 335.436223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC1)[NH+]2CCC(=O)N(CC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C1CCC1)[NH+]2CCC(=O)N(CC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C19H27FN2O2/c1-15(16-3-2-4-16)21-10-9-19(23)22(12-11-21)13-14-24-18-7-5-17(20)6-8-18/h5-8,15-16H,2-4,9-14H2,1H3/p+1/t15-/m1/s1