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

Systemtic Name: N,4-bis[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N,4-bis[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N,4-bis[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N,4-bis[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N,4-bis(p-anisyl)piperazin-4-ium-1-carbothioamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-25-19-7-3-17(4-8-19)15-22-21(27)24-13-11-23(12-14-24)16-18-5-9-20(26-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,22,27)/p+1