N-(3-methoxypropyl)-4-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-4-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxypropyl)-4-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxypropyl)-4-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxypropyl)-4-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxypropyl)-4-phenyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CC[NH+](CC1)C2=CC=CC=C2

Isomeric SMILES

COCCCNC(=S)N1CC[NH+](CC1)C2=CC=CC=C2

InChI

InChI=1S/C15H23N3OS/c1-19-13-5-8-16-15(20)18-11-9-17(10-12-18)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,16,20)/p+1