ethyl (3R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-2-23-17(20)15-9-6-12-18(13-15)11-5-8-14-7-3-4-10-16(14)19(21)22/h3-5,7-8,10,15H,2,6,9,11-13H2,1H3/p+1/b8-5+/t15-/m1/s1