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

Systemtic Name: N-cyclopropyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-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)NC3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C17H25N3O2S/c1-21-15-5-6-16(22-2)13(11-15)12-19-7-9-20(10-8-19)17(23)18-14-3-4-14/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,18,23)/p+1