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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS/c1-24-19-9-7-17(8-10-19)15-21-20(25)23-13-11-22(12-14-23)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,25)/p+1