N-(3-bromophenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C17H24BrN4OS+ MolecularWeight: 412.36766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H23BrN4OS/c18-14-4-3-5-15(12-14)19-17(24)22-10-8-20(9-11-22)13-16(23)21-6-1-2-7-21/h3-5,12H,1-2,6-11,13H2,(H,19,24)/p+1