2-(azepan-1-ium-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azepan-1-ium-1-yl)acetamide Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCCCC3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCCCC3)OCO2

InChI

InChI=1S/C17H22N2O4/c1-12(20)13-8-15-16(23-11-22-15)9-14(13)18-17(21)10-19-6-4-2-3-5-7-19/h8-9H,2-7,10-11H2,1H3,(H,18,21)/p+1