N-(3-methoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C13H19N3OS/c1-15-6-8-16(9-7-15)13(18)14-11-4-3-5-12(10-11)17-2/h3-5,10H,6-9H2,1-2H3,(H,14,18)/p+1