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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCOC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCOC)OC)OC

InChI

InChI=1S/C18H29N3O3S/c1-14-11-16(23-3)17(24-4)12-15(14)13-20-6-8-21(9-7-20)18(25)19-5-10-22-2/h11-12H,5-10,13H2,1-4H3,(H,19,25)/p+1