(2S)-N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propionamide Formula: C15H16N3O3+ MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[N+]2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3/c1-11-6-7-13(10-14(11)18(20)21)16-15(19)12(2)17-8-4-3-5-9-17/h3-10,12H,1-2H3/p+1/t12-/m0/s1