3-(4-azanylphenoxy)-1-(1-methylpyridin-1-ium-3-yl)propan-1-one

Systemtic Name: 3-(4-azanylphenoxy)-1-(1-methylpyridin-1-ium-3-yl)propan-1-one Openeye Name: 3-(4-aminophenoxy)-1-(1-methylpyridin-1-ium-3-yl)propan-1-one CAS Name: 3-(4-aminophenoxy)-1-(1-methyl-3-pyridin-1-iumyl)-1-propanone IUPAC Name: 3-(4-aminophenoxy)-1-(1-methylpyridin-1-ium-3-yl)propan-1-one Traditional Name: 3-(4-aminophenoxy)-1-(1-methylpyridin-1-ium-3-yl)propan-1-one Formula: C15H17N2O2+ MolecularWeight: 257.30768

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)CCOC2=CC=C(C=C2)N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)CCOC2=CC=C(C=C2)N

InChI

InChI=1S/C15H17N2O2/c1-17-9-2-3-12(11-17)15(18)8-10-19-14-6-4-13(16)5-7-14/h2-7,9,11H,8,10,16H2,1H3/q+1