N-(3-bromophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C17H20BrN4S+ MolecularWeight: 392.3365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4S/c18-15-2-1-3-16(12-15)20-17(23)22-10-8-21(9-11-22)13-14-4-6-19-7-5-14/h1-7,12H,8-11,13H2,(H,20,23)/p+1