2-azanyl-6-ethoxy-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-ethoxy-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-ethoxy-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-ethoxy-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-ethoxy-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-ethoxy-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H19N4O2+ MolecularWeight: 371.41186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H18N4O2/c1-2-27-22-19(13-24)20(18(12-23)21(25)26-22)16-8-10-17(11-9-16)28-14-15-6-4-3-5-7-15/h3-11H,2,14H2,1H3,(H2,25,26)/p+1