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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-piperonyl-acetamide Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O3/c19-16(11-18-7-3-1-2-4-8-18)17-10-13-5-6-14-15(9-13)21-12-20-14/h5-6,9H,1-4,7-8,10-12H2,(H,17,19)/p+1