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

Systemtic Name: 2-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=C(C=C2)O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC(=C(C=C2)O)OCC)C

InChI

InChI=1S/C17H19N3O2/c1-4-13-10(3)16(12(9-18)17(19)20-13)11-6-7-14(21)15(8-11)22-5-2/h6-8,21H,4-5H2,1-3H3,(H2,19,20)/p+1