N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H25N3O4S+2 MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)OCO2

InChI

InChI=1S/C20H23N3O4S/c1-14(24)16-9-18-19(27-13-26-18)10-17(16)21-20(25)12-23-6-4-22(5-7-23)11-15-3-2-8-28-15/h2-3,8-10H,4-7,11-13H2,1H3,(H,21,25)/p+2