N-(4-bromophenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(4-bromophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H21BrN3S+ MolecularWeight: 391.34844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3S/c19-16-6-8-17(9-7-16)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)/p+1