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

Systemtic Name: N-[(2S)-butan-2-yl]-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(2S)-butan-2-yl]-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(2S)-butan-2-yl]-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide Formula: C10H22N3S+ MolecularWeight: 216.36678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21N3S/c1-4-9(2)11-10(14)13-7-5-12(3)6-8-13/h9H,4-8H2,1-3H3,(H,11,14)/p+1/t9-/m0/s1