4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c1-10-4-2-3-7-16(10)9-12-6-5-11(14(15)18)8-13(12)17(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H2,15,18)/p+1/t10-/m0/s1