4-[(2,5-dimethoxyphenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCC=C

InChI

InChI=1S/C17H25N3O2S/c1-4-7-18-17(23)20-10-8-19(9-11-20)13-14-12-15(21-2)5-6-16(14)22-3/h4-6,12H,1,7-11,13H2,2-3H3,(H,18,23)/p+1