2-azanyl-4-(3,4-dimethoxyphenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-ethyl-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-ethyl-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-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)OC)OC)C#N)N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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