(4-hexylpyridin-1-ium-1-yl)-(4-nitrophenyl)methanone chloride

Systemtic Name: (4-hexylpyridin-1-ium-1-yl)-(4-nitrophenyl)methanone chloride Openeye Name: (4-hexylpyridin-1-ium-1-yl)-(4-nitrophenyl)methanone chloride CAS Name: (4-hexyl-1-pyridin-1-iumyl)-(4-nitrophenyl)methanone chloride IUPAC Name: (4-hexylpyridin-1-ium-1-yl)-(4-nitrophenyl)methanone chloride Traditional Name: (4-hexylpyridin-1-ium-1-yl)-(4-nitrophenyl)methanone chloride Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=[N+](C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCC1=CC=[N+](C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H21N2O3.ClH/c1-2-3-4-5-6-15-11-13-19(14-12-15)18(21)16-7-9-17(10-8-16)20(22)23;/h7-14H,2-6H2,1H3;1H/q+1;/p-1