4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC(=C(C=C2C)OC)OC

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C17H27N3O2S/c1-5-18-17(23)20-8-6-19(7-9-20)12-14-11-16(22-4)15(21-3)10-13(14)2/h10-11H,5-9,12H2,1-4H3,(H,18,23)/p+1