1-[butoxy-(3-nitrophenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine chloride

Systemtic Name: 1-[butoxy-(3-nitrophenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine chloride Openeye Name: 1-[butoxy-(3-nitrophenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine chloride CAS Name: 1-[butoxy-(3-nitrophenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine chloride IUPAC Name: 1-[butoxy-(3-nitrophenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine chloride Traditional Name: [1-[butoxy-(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]-dimethyl-amine chloride Formula: C18H24ClN3O3 MolecularWeight: 365.85446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C1=CC(=CC=C1)[N+](=O)[O-])[N+]2=CC=C(C=C2)N(C)C.[Cl-]

Isomeric SMILES

CCCCOC(C1=CC(=CC=C1)[N+](=O)[O-])[N+]2=CC=C(C=C2)N(C)C.[Cl-]

InChI

InChI=1S/C18H24N3O3.ClH/c1-4-5-13-24-18(15-7-6-8-17(14-15)21(22)23)20-11-9-16(10-12-20)19(2)3;/h6-12,14,18H,4-5,13H2,1-3H3;1H/q+1;/p-1