4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H23N3O3S/c1-20-9-4-17-16(23)19-7-5-18(6-8-19)11-13-2-3-14-15(10-13)22-12-21-14/h2-3,10H,4-9,11-12H2,1H3,(H,17,23)/p+1