4-[(R)-(2-chlorophenyl)-phenyl-methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(R)-(2-chlorophenyl)-phenyl-methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(R)-(2-chlorophenyl)-phenyl-methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(R)-(2-chlorophenyl)-phenylmethyl]-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(R)-(2-chlorophenyl)-phenylmethyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(R)-(2-chlorophenyl)-phenyl-methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C22H27ClN3S+ MolecularWeight: 400.98788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=C)CNC(=S)N1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3S/c1-17(2)16-24-22(27)26-14-12-25(13-15-26)21(18-8-4-3-5-9-18)19-10-6-7-11-20(19)23/h3-11,21H,1,12-16H2,2H3,(H,24,27)/p+1/t21-/m1/s1