(2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2R)-2-phenyl-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2R)-2-phenyl-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-thioacetamide Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=CC=C2)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C12H17N3S/c13-12(16)11(10-4-2-1-3-5-10)15-8-6-14-7-9-15/h1-5,11,14H,6-9H2,(H2,13,16)/p+1/t11-/m1/s1