N-[(2S)-butan-2-yl]-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(2S)-butan-2-yl]-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(2S)-butan-2-yl]-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide Formula: C11H24N3S+ MolecularWeight: 230.39336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N1CC[NH+](CC1)CC

Isomeric SMILES

CC[C@H](C)NC(=S)N1CC[NH+](CC1)CC

InChI

InChI=1S/C11H23N3S/c1-4-10(3)12-11(15)14-8-6-13(5-2)7-9-14/h10H,4-9H2,1-3H3,(H,12,15)/p+1/t10-/m0/s1