(2R)-N-(4-methyl-3-nitro-phenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-methyl-3-nitro-phenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-methyl-3-nitro-phenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-(4-methyl-3-nitrophenyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-methyl-3-nitrophenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-methyl-3-nitro-phenyl)piperidin-1-ium-2-carboxamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCC[NH2+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCC[NH2+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-9-5-6-10(8-12(9)16(18)19)15-13(17)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3,(H,15,17)/p+1/t11-/m1/s1