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

Systemtic Name: N-(4-phenoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-phenoxyphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c29-24(27-17-15-26(16-18-27)19-20-7-3-1-4-8-20)25-21-11-13-23(14-12-21)28-22-9-5-2-6-10-22/h1-14H,15-19H2,(H,25,29)/p+1