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

Systemtic Name: 2-azanyl-5-butyl-4-(3-ethoxy-4-oxidanyl-phenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-5-butyl-4-(3-ethoxy-4-hydroxy-phenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-5-butyl-4-(3-ethoxy-4-hydroxyphenyl)-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-5-butyl-4-(3-ethoxy-4-hydroxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-5-butyl-4-(3-ethoxy-4-hydroxy-phenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([NH+]=C(C(=C1C2=CC(=C(C=C2)O)OCC)C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C([NH+]=C(C(=C1C2=CC(=C(C=C2)O)OCC)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O2/c1-3-5-11-18-22(17-12-13-20(28)21(14-17)29-4-2)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14,28H,3-5,11H2,1-2H3,(H2,26,27)/p+1