4-(naphthalen-1-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(naphthalen-1-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-naphthylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-naphthalenylmethyl)-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(naphthalen-1-ylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-naphthylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O2S/c27-26(28)20-10-8-19(9-11-20)23-22(29)25-14-12-24(13-15-25)16-18-6-3-5-17-4-1-2-7-21(17)18/h1-11H,12-16H2,(H,23,29)/p+1