4-[2-(4-fluoranylphenoxy)ethyl]-1-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[2-(4-fluoranylphenoxy)ethyl]-1-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[2-(4-fluorophenoxy)ethyl]-1-(3-thienylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[2-(4-fluorophenoxy)ethyl]-1-(3-thiophenylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[2-(4-fluorophenoxy)ethyl]-1-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-[2-(4-fluorophenoxy)ethyl]-1-(3-thenyl)-1,4-diazepan-1-ium-5-one Formula: C18H22FN2O2S+ MolecularWeight: 349.442883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=CSC=C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=C(C=C2)F)CC3=CSC=C3

InChI

InChI=1S/C18H21FN2O2S/c19-16-1-3-17(4-2-16)23-11-10-21-9-8-20(7-5-18(21)22)13-15-6-12-24-14-15/h1-4,6,12,14H,5,7-11,13H2/p+1