1-[4-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3S)-3-thiolanyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C16H23N2OS+ MolecularWeight: 291.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCSC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCSC3

InChI

InChI=1S/C16H22N2OS/c1-13(19)14-2-4-15(5-3-14)17-7-9-18(10-8-17)16-6-11-20-12-16/h2-5,16H,6-12H2,1H3/p+1/t16-/m0/s1