N-(3-methoxypropyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxypropyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3OS/c1-20-13-5-8-17-16(21)19-11-9-18(10-12-19)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,17,21)/p+1