6-(ethylamino)-1-[2-(4-propanoylphenoxy)ethanoyl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(ethylamino)-1-[2-(4-propanoylphenoxy)ethanoyl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-(ethylamino)-1-[2-(4-propanoylphenoxy)acetyl]pyridin-1-ium-3-carbonitrile CAS Name: 6-(ethylamino)-1-[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(ethylamino)-1-[2-(4-propanoylphenoxy)acetyl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-(ethylamino)-1-[2-(4-propionylphenoxy)acetyl]pyridin-1-ium-3-carbonitrile Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)[N+]2=C(C=CC(=C2)C#N)NCC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)[N+]2=C(C=CC(=C2)C#N)NCC

InChI

InChI=1S/C19H19N3O3/c1-3-17(23)15-6-8-16(9-7-15)25-13-19(24)22-12-14(11-20)5-10-18(22)21-4-2/h5-10,12H,3-4,13H2,1-2H3/p+1