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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-propyl-piperazin-4-ium-1-carbothioamide Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-5-6-19-18(24)21-9-7-20(8-10-21)13-15-12-17(23-4)16(22-3)11-14(15)2/h11-12H,5-10,13H2,1-4H3,(H,19,24)/p+1