2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5-ethyl-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5-ethyl-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([NH+]=C(C(=C1C2=CC(=C(C=C2)O)OCC)C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCC1=C([NH+]=C(C(=C1C2=CC(=C(C=C2)O)OCC)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2/c1-3-16-20(15-10-11-18(26)19(12-15)27-4-2)17(13-23)22(24)25-21(16)14-8-6-5-7-9-14/h5-12,26H,3-4H2,1-2H3,(H2,24,25)/p+1