N-(2-methoxyethyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3OS/c1-19-12-7-16-15(20)18-10-8-17(9-11-18)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,16,20)/p+1