2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)OCO2

InChI

InChI=1S/C23H31N3O5/c1-16(27)18-12-20-21(31-15-30-20)13-19(18)24-22(28)14-25-10-6-17(7-11-25)23(29)26-8-4-2-3-5-9-26/h12-13,17H,2-11,14-15H2,1H3,(H,24,28)/p+1