2-azanyl-4-(4-bromophenyl)-6-propoxy-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-propoxy-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-propoxy-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-propoxypyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-propoxypyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-propoxy-pyridin-1-ium-3,5-dicarbonitrile Formula: C16H14BrN4O+ MolecularWeight: 358.21256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCCOC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C16H13BrN4O/c1-2-7-22-16-13(9-19)14(12(8-18)15(20)21-16)10-3-5-11(17)6-4-10/h3-6H,2,7H2,1H3,(H2,20,21)/p+1