ethyl (4Z,6E)-5-ethyl-1-(phenylmethyl)-2,3-dihydroazocin-1-ium-7-carboxylate

Systemtic Name: ethyl (4Z,6E)-5-ethyl-1-(phenylmethyl)-2,3-dihydroazocin-1-ium-7-carboxylate Openeye Name: ethyl (4Z,6E)-1-benzyl-5-ethyl-2,3-dihydroazocin-1-ium-7-carboxylate CAS Name: (4Z,6E)-5-ethyl-1-(phenylmethyl)-2,3-dihydroazocin-1-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl (4Z,6E)-1-benzyl-5-ethyl-2,3-dihydroazocin-1-ium-7-carboxylate Traditional Name: (4Z,6E)-1-benzyl-5-ethyl-2,3-dihydroazocin-1-ium-7-carboxylic acid ethyl ester Formula: C19H24NO2+ MolecularWeight: 298.39936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC[N+](=CC(=C1)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CC/C/1=C/CC[N+](=C/C(=C1)/C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C19H24NO2/c1-3-16-11-8-12-20(14-17-9-6-5-7-10-17)15-18(13-16)19(21)22-4-2/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3/q+1/b16-11-,18-13+,20-15?