N-(3,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H25N3S/c1-4-5-18-6-8-19(9-7-18)16(20)17-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3,(H,17,20)/p+1