4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=S)N

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=S)N

InChI

InChI=1S/C19H23N3OS/c1-15(21-11-13-22(14-12-21)19(20)24)16-7-9-18(10-8-16)23-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,20,24)/p+1/t15-/m1/s1