N-(2,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2,5-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=C(C=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3S/c1-4-7-18-8-10-19(11-9-18)16(20)17-15-12-13(2)5-6-14(15)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,20)/p+1