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

Systemtic Name: N-[(2S)-butan-2-yl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(2S)-butan-2-yl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[(2S)-butan-2-yl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-[(1S)-1-methylpropyl]piperazin-4-ium-1-carbothioamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N3S/c1-3-14(2)17-16(20)19-11-9-18(10-12-19)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,17,20)/p+1/t14-/m0/s1