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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCC[NH2+]C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCC[NH2+]C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-9-4-5-11(7-12(9)16(18)19)15-13(17)10-3-2-6-14-8-10/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,15,17)/p+1/t10-/m0/s1