N-(4-ethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N3OS/c1-3-18-13-6-4-12(5-7-13)15-14(19)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3,(H,15,19)/p+1