N-[(4-bromophenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-bromophenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(4-bromophenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(4-bromophenyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(4-bromophenyl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (4-bromobenzyl)-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C13H13BrN3O2+ MolecularWeight: 323.16522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O2/c1-16(9-10-4-6-11(14)7-5-10)13-12(17(18)19)3-2-8-15-13/h2-8H,9H2,1H3/p+1