ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2-nitrophenyl)-2-furyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2-nitrophenyl)-2-furanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2-nitrophenyl)-2-furyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23N2O5+ MolecularWeight: 359.39632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5/c1-2-25-19(22)14-9-11-20(12-10-14)13-15-7-8-18(26-15)16-5-3-4-6-17(16)21(23)24/h3-8,14H,2,9-13H2,1H3/p+1