4-methyl-N-[(1R)-3-oxidanylidene-1,3-diphenyl-propyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-[(1R)-3-oxidanylidene-1,3-diphenyl-propyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-[(1R)-3-oxo-1,3-diphenyl-propyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-[(1R)-3-oxo-1,3-diphenylpropyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-[(1R)-3-keto-1,3-diphenyl-propyl]-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)N[C@H](CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-23-12-14-24(15-13-23)21(26)22-19(17-8-4-2-5-9-17)16-20(25)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,26)/p+1/t19-/m1/s1