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

Systemtic Name: N-(4-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-nitrophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c23-22(24)17-8-6-16(7-9-17)19-18(25)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,19,25)/p+1