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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methoxypropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxypropyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-21-10-2-5-18-17(24)20-8-6-19(7-9-20)12-14-3-4-15-16(11-14)23-13-22-15/h3-4,11H,2,5-10,12-13H2,1H3,(H,18,24)/p+1