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

Systemtic Name: 2-azanyl-5-ethyl-4-(3-methoxy-4-oxidanyl-phenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-ethyl-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-ethyl-4-(4-hydroxy-3-methoxyphenyl)-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-ethyl-4-(4-hydroxy-3-methoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-ethyl-4-(4-hydroxy-3-methoxy-phenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-3-15-19(14-9-10-17(25)18(11-14)26-2)16(12-22)21(23)24-20(15)13-7-5-4-6-8-13/h4-11,25H,3H2,1-2H3,(H2,23,24)/p+1