ethyl 1-[(5-chloranyl-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-chloranyl-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-chloro-2-nitro-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-chloro-2-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-chloro-2-nitro-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H20ClN2O4+ MolecularWeight: 327.7833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H19ClN2O4/c1-2-22-15(19)11-5-7-17(8-6-11)10-12-9-13(16)3-4-14(12)18(20)21/h3-4,9,11H,2,5-8,10H2,1H3/p+1