2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-6-ethoxy-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-6-ethoxy-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-ethoxy-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-6-ethoxypyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-6-ethoxypyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-6-ethoxy-pyridin-1-ium-3,5-dicarbonitrile Formula: C16H14BrN4O2+ MolecularWeight: 374.21196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=C(C=CC(=C2)Br)OC)C#N

Isomeric SMILES

CCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=C(C=CC(=C2)Br)OC)C#N

InChI

InChI=1S/C16H13BrN4O2/c1-3-23-16-12(8-19)14(11(7-18)15(20)21-16)10-6-9(17)4-5-13(10)22-2/h4-6H,3H2,1-2H3,(H2,20,21)/p+1