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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N2O3/c18-15(10-17-7-3-1-2-4-8-17)16-12-5-6-13-14(9-12)20-11-19-13/h5-6,9H,1-4,7-8,10-11H2,(H,16,18)/p+1