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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

InChI

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