N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Formula: C21H31N3O4+2 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)[NH+]4CCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)[NH+]4CCCCC4)OCO2

InChI

InChI=1S/C21H29N3O4/c1-15(25)17-11-19-20(28-14-27-19)12-18(17)22-21(26)13-23-9-5-16(6-10-23)24-7-3-2-4-8-24/h11-12,16H,2-10,13-14H2,1H3,(H,22,26)/p+2