4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=C(C=C(C=C1)OC)OC)[NH+]2CCN(CC2)C(=S)N

InChI

InChI=1S/C15H23N3O2S/c1-11(17-6-8-18(9-7-17)15(16)21)13-5-4-12(19-2)10-14(13)20-3/h4-5,10-11H,6-9H2,1-3H3,(H2,16,21)/p+1/t11-/m1/s1