N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-nitrophenyl)-4-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-nitrophenyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2S/c24-23(25)18-8-6-17(7-9-18)20-19(26)22-14-12-21(13-15-22)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,20,26)/p+1