N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C14H15BrN3O3+ MolecularWeight: 353.1912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN3O3/c1-17(14-12(18(19)20)4-3-7-16-14)9-10-8-11(15)5-6-13(10)21-2/h3-8H,9H2,1-2H3/p+1