4-[(4-methoxyphenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H21N3OS/c1-15-14(19)17-9-7-16(8-10-17)11-12-3-5-13(18-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,15,19)/p+1