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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C19H30N4O3S+2 MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=S)NCC[NH+]4CCOCC4

InChI

InChI=1S/C19H28N4O3S/c27-19(20-3-4-21-9-11-24-12-10-21)23-7-5-22(6-8-23)14-16-1-2-17-18(13-16)26-15-25-17/h1-2,13H,3-12,14-15H2,(H,20,27)/p+2