4-chloranyl-2-oxidanyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 4-chloranyl-2-oxidanyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 4-chloro-2-hydroxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 4-chloro-2-hydroxy-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-chloro-2-hydroxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 4-chloro-2-hydroxy-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=C(C=C(C=C3)Cl)O

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=C(C=C(C=C3)Cl)O

InChI

InChI=1S/C17H18ClN3O2/c18-13-3-4-14(15(22)10-13)17(23)20-11-12-5-6-19-16(9-12)21-7-1-2-8-21/h3-6,9-10,22H,1-2,7-8,11H2,(H,20,23)/p+1