1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C13H16NO3+ MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](C1)CC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15NO3/c15-11(8-14-5-1-2-6-14)10-3-4-12-13(7-10)17-9-16-12/h3-4,7H,1-2,5-6,8-9H2/p+1