(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)ethanethioamide

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)ethanethioamide Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(o-tolyl)thioacetamide CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(2-methylphenyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)ethanethioamide Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(o-tolyl)thioacetamide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CC=C2C)C(=S)N

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](C2=CC=CC=C2C)C(=S)N

InChI

InChI=1S/C15H23N3S/c1-3-17-8-10-18(11-9-17)14(15(16)19)13-7-5-4-6-12(13)2/h4-7,14H,3,8-11H2,1-2H3,(H2,16,19)/p+1/t14-/m0/s1