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

Systemtic Name: N-(3-oxidanylpyridin-1-ium-2-yl)-4-pyrrol-1-yl-benzamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-pyrrol-1-yl-benzamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-4-(1-pyrrolyl)benzamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-pyrrol-1-ylbenzamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-pyrrol-1-yl-benzamide Formula: C16H14N3O2+ MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C16H13N3O2/c20-14-4-3-9-17-15(14)18-16(21)12-5-7-13(8-6-12)19-10-1-2-11-19/h1-11,20H,(H,17,18,21)/p+1