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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[NH+]C(=C(C(=C1)C2=CC(=C(C=C2)O)OCC)C#N)N

Isomeric SMILES

CCCC1=[NH+]C(=C(C(=C1)C2=CC(=C(C=C2)O)OCC)C#N)N

InChI

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