N-(3,4-dimethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H29N5O2S/c1-14-17(15(2)23(3)22-14)13-24-8-10-25(11-9-24)20(28)21-16-6-7-18(26-4)19(12-16)27-5/h6-7,12H,8-11,13H2,1-5H3,(H,21,28)/p+1