N-butyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-butyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-butyl-piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-butylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-butyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

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