N-(3-bromophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C19H23BrN3OS+ MolecularWeight: 421.37442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H22BrN3OS/c20-16-5-4-6-17(15-16)21-19(25)23-11-9-22(10-12-23)13-14-24-18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,25)/p+1