4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-carbothioamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)[NH+]2CCN(CC2)C(=S)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(C)C)[NH+]2CCN(CC2)C(=S)N

InChI

InChI=1S/C16H25N3S/c1-12(2)14-4-6-15(7-5-14)13(3)18-8-10-19(11-9-18)16(17)20/h4-7,12-13H,8-11H2,1-3H3,(H2,17,20)/p+1/t13-/m0/s1