N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-homoveratryl-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H29N3O2S/c1-4-9-20-10-12-21(13-11-20)18(24)19-8-7-15-5-6-16(22-2)17(14-15)23-3/h5-6,14H,4,7-13H2,1-3H3,(H,19,24)/p+1