2-(4-nitrophenyl)sulfanyl-1-(3-phenoxypropyl)-4-phenyl-pyridin-1-ium chloride

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-(3-phenoxypropyl)-4-phenyl-pyridin-1-ium chloride Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-(3-phenoxypropyl)-4-phenyl-pyridin-1-ium chloride CAS Name: 2-[(4-nitrophenyl)thio]-1-(3-phenoxypropyl)-4-phenylpyridin-1-ium chloride IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-(3-phenoxypropyl)-4-phenylpyridin-1-ium chloride Traditional Name: 2-[(4-nitrophenyl)thio]-1-(3-phenoxypropyl)-4-phenyl-pyridin-1-ium chloride Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C=C2)CCCOC3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C=C2)CCCOC3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C26H23N2O3S.ClH/c29-28(30)23-12-14-25(15-13-23)32-26-20-22(21-8-3-1-4-9-21)16-18-27(26)17-7-19-31-24-10-5-2-6-11-24;/h1-6,8-16,18,20H,7,17,19H2;1H/q+1;/p-1