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

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

Systemtic Name:4-methyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide
Openeye Name:4-methyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide
CAS Name:4-methyl-N-(4-phenoxyphenyl)-1-piperazin-4-iumcarbothioamide
IUPAC Name:4-methyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide
Traditional Name:4-methyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide
Formula: C18H22N3OS+
MolecularWeight: 328.45178
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3


Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3


InChI

InChI=1S/C18H21N3OS/c1-20-11-13-21(14-12-20)18(23)19-15-7-9-17(10-8-15)22-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,23)/p+1


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