4-chloranyl-N-[4-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]benzamide chloride

Systemtic Name: 4-chloranyl-N-[4-[2-oxidanyl-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]benzamide chloride Openeye Name: 4-chloro-N-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]benzamide chloride CAS Name: 4-chloro-N-[4-[2-hydroxy-3-(4-phenyl-1-pyridin-1-iumyl)propoxy]phenyl]benzamide chloride IUPAC Name: 4-chloro-N-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]benzamide chloride Traditional Name: 4-chloro-N-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]phenyl]benzamide chloride Formula: C27H24Cl2N2O3 MolecularWeight: 495.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)O.[Cl-]

InChI

InChI=1S/C27H23ClN2O3.ClH/c28-23-8-6-22(7-9-23)27(32)29-24-10-12-26(13-11-24)33-19-25(31)18-30-16-14-21(15-17-30)20-4-2-1-3-5-20;/h1-17,25,31H,18-19H2;1H