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

Systemtic Name: N-cyclohexyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3

InChI

InChI=1S/C20H31N3O2S/c1-24-18-8-9-19(25-2)16(14-18)15-22-10-12-23(13-11-22)20(26)21-17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,21,26)/p+1