3-methyl-4-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide

Systemtic Name: 3-methyl-4-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide Openeye Name: 3-methyl-4-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide CAS Name: 3-methyl-4-nitro-N-(2-pyridin-1-iumylmethyl)benzamide IUPAC Name: 3-methyl-4-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide Traditional Name: 3-methyl-4-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide Formula: C14H14N3O3+ MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3/c1-10-8-11(5-6-13(10)17(19)20)14(18)16-9-12-4-2-3-7-15-12/h2-8H,9H2,1H3,(H,16,18)/p+1