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

Systemtic Name: N-butyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-butyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-butyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-butyl-4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C19H32N3O2S+ MolecularWeight: 366.54128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S/c1-5-6-7-20-19(25)22-10-8-21(9-11-22)14-16-13-18(24-4)17(23-3)12-15(16)2/h12-13H,5-11,14H2,1-4H3,(H,20,25)/p+1