(2S)-N-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (2S)-N-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-N-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2S)-N-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-N-[(4-methoxyphenyl)methyl]-4-methyl-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2S)-4-methyl-N-p-anisyl-2-phenyl-piperazin-4-ium-1-carbothioamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3OS/c1-22-12-13-23(19(15-22)17-6-4-3-5-7-17)20(25)21-14-16-8-10-18(24-2)11-9-16/h3-11,19H,12-15H2,1-2H3,(H,21,25)/p+1/t19-/m1/s1