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

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H25N3O2S/c1-4-17-16(22)19-9-7-18(8-10-19)12-13-11-14(20-2)5-6-15(13)21-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,17,22)/p+1