N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-piperonyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H25N3O3S+2 MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O3S/c23-19(20-11-15-3-4-17-18(10-15)25-14-24-17)13-22-7-5-21(6-8-22)12-16-2-1-9-26-16/h1-4,9-10H,5-8,11-14H2,(H,20,23)/p+2