N-(4-propan-2-ylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-propan-2-ylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-p-cumenyl-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3S/c1-4-9-19-10-12-20(13-11-19)17(21)18-16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)/p+1