ethyl (3S)-1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-chloro-5-nitro-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2-chloro-5-nitrophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-chloro-5-nitrophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-chloro-5-nitro-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20ClN2O4+ MolecularWeight: 327.7833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H19ClN2O4/c1-2-22-15(19)11-4-3-7-17(9-11)10-12-8-13(18(20)21)5-6-14(12)16/h5-6,8,11H,2-4,7,9-10H2,1H3/p+1/t11-/m0/s1