3-ethoxy-N-(3-oxidanylpyridin-1-ium-2-yl)-4-(2-phenoxyethoxy)benzamide

Systemtic Name: 3-ethoxy-N-(3-oxidanylpyridin-1-ium-2-yl)-4-(2-phenoxyethoxy)benzamide Openeye Name: 3-ethoxy-N-(3-hydroxypyridin-1-ium-2-yl)-4-(2-phenoxyethoxy)benzamide CAS Name: 3-ethoxy-N-(3-hydroxy-2-pyridin-1-iumyl)-4-(2-phenoxyethoxy)benzamide IUPAC Name: 3-ethoxy-N-(3-hydroxypyridin-1-ium-2-yl)-4-(2-phenoxyethoxy)benzamide Traditional Name: 3-ethoxy-N-(3-hydroxypyridin-1-ium-2-yl)-4-(2-phenoxyethoxy)benzamide Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=[NH+]2)O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=[NH+]2)O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-2-27-20-15-16(22(26)24-21-18(25)9-6-12-23-21)10-11-19(20)29-14-13-28-17-7-4-3-5-8-17/h3-12,15,25H,2,13-14H2,1H3,(H,23,24,26)/p+1