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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H29N3O3S/c1-16-13-20(27-3)21(28-4)14-17(16)15-24-9-11-25(12-10-24)22(29)23-18-5-7-19(26-2)8-6-18/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,29)/p+1