4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,6-dichlorophenyl)methyl]-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[(2,6-dichlorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(2,6-dichlorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C19H22Cl2N3S+ MolecularWeight: 395.36908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)Cl)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)Cl)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H21Cl2N3S/c20-17-7-4-8-18(21)16(17)14-23-9-11-24(12-10-23)19(25)22-13-15-5-2-1-3-6-15/h1-8H,9-14H2,(H,22,25)/p+1