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

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,6-dichlorophenyl)methyl]-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,6-dichlorophenyl)methyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,6-dichlorobenzyl)-N-isopropyl-piperazin-4-ium-1-carbothioamide Formula: C15H22Cl2N3S+ MolecularWeight: 347.32628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(C)NC(=S)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C15H21Cl2N3S/c1-11(2)18-15(21)20-8-6-19(7-9-20)10-12-13(16)4-3-5-14(12)17/h3-5,11H,6-10H2,1-2H3,(H,18,21)/p+1