2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]pyridin-1-ium-3-carbonitrile CAS Name: 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]pyridin-1-ium-3-carbonitrile Formula: C16H17FN3O+ MolecularWeight: 286.324083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C2=C(C=CC=[NH+]2)C#N

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C2=C(C=CC=[NH+]2)C#N

InChI

InChI=1S/C16H16FN3O/c1-3-20(16-13(10-18)5-4-8-19-16)11-12-6-7-15(21-2)14(17)9-12/h4-9H,3,11H2,1-2H3/p+1