4-[(4-fluorophenyl)methyl]-1-[(3S)-thiolan-3-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[(3S)-thiolan-3-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[(3S)-tetrahydrothiophen-3-yl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(4-fluorophenyl)methyl]-1-[(3S)-3-thiolanyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[(3S)-thiolan-3-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(4-fluorobenzyl)-1-[(3S)-tetrahydrothiophen-3-yl]-1,4-diazepan-1-ium-5-one Formula: C16H22FN2OS+ MolecularWeight: 309.422083

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN2OS/c17-14-3-1-13(2-4-14)11-19-9-8-18(7-5-16(19)20)15-6-10-21-12-15/h1-4,15H,5-12H2/p+1/t15-/m0/s1