4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH+]2CCN(CC2)C(=S)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH+]2CCN(CC2)C(=S)N)C

InChI

InChI=1S/C15H23N3S/c1-11-4-5-14(10-12(11)2)13(3)17-6-8-18(9-7-17)15(16)19/h4-5,10,13H,6-9H2,1-3H3,(H2,16,19)/p+1/t13-/m0/s1