1,3-benzodioxol-5-yl-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[2-(isopropylamino)pyridin-1-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[2-(isopropylamino)pyridin-1-ium-1-yl]methanone Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O3/c1-11(2)17-15-5-3-4-8-18(15)16(19)12-6-7-13-14(9-12)21-10-20-13/h3-9,11H,10H2,1-2H3/p+1