N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-pyridin-1-ium-2-amine CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-2-pyridin-1-iumamine IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyridin-1-ium-2-amine Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(5-methylpyridin-1-ium-2-yl)amine Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H18N2O2/c1-12-2-5-16(18-11-12)17-7-6-13-3-4-14-15(10-13)20-9-8-19-14/h2-5,10-11H,6-9H2,1H3,(H,17,18)/p+1