(2S)-N-(3-bromophenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (2S)-N-(3-bromophenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-N-(3-bromophenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2S)-N-(3-bromophenyl)-4-methyl-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-N-(3-bromophenyl)-4-methyl-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2S)-N-(3-bromophenyl)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Formula: C18H21BrN3S+ MolecularWeight: 391.34844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H20BrN3S/c1-21-10-11-22(17(13-21)14-6-3-2-4-7-14)18(23)20-16-9-5-8-15(19)12-16/h2-9,12,17H,10-11,13H2,1H3,(H,20,23)/p+1/t17-/m1/s1