dimethyl (5R,6S,7S)-4-ethyl-7-phenyl-1,4-oxazepan-4-ium-5,6-dicarboxylate

Systemtic Name: dimethyl (5R,6S,7S)-4-ethyl-7-phenyl-1,4-oxazepan-4-ium-5,6-dicarboxylate Openeye Name: dimethyl (5R,6S,7S)-4-ethyl-7-phenyl-1,4-oxazepan-4-ium-5,6-dicarboxylate CAS Name: (5R,6S,7S)-4-ethyl-7-phenyl-1,4-oxazepan-4-ium-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5R,6S,7S)-4-ethyl-7-phenyl-1,4-oxazepan-4-ium-5,6-dicarboxylate Traditional Name: (5R,6S,7S)-4-ethyl-7-phenyl-1,4-oxazepan-4-ium-5,6-dicarboxylic acid dimethyl ester Formula: C17H24NO5+ MolecularWeight: 322.37616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCOC(C(C1C(=O)OC)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCO[C@@H]([C@H]([C@@H]1C(=O)OC)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C17H23NO5/c1-4-18-10-11-23-15(12-8-6-5-7-9-12)13(16(19)21-2)14(18)17(20)22-3/h5-9,13-15H,4,10-11H2,1-3H3/p+1/t13-,14+,15+/m0/s1