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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (2,4-dimethylbenzyl)-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c1-11-6-7-13(12(2)9-11)10-17(3)15-14(18(19)20)5-4-8-16-15/h4-9H,10H2,1-3H3/p+1