ethyl 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-nitrobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-2-21-15(18)13-6-8-16(9-7-13)11-12-4-3-5-14(10-12)17(19)20/h3-5,10,13H,2,6-9,11H2,1H3/p+1