ethyl 1-(2-morpholin-4-yl-2-phenyl-ethyl)-4-phenyl-piperidin-1-ium-4-carboxylate; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl 1-(2-morpholin-4-yl-2-phenyl-ethyl)-4-phenyl-piperidin-1-ium-4-carboxylate; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: ethyl 1-(2-morpholino-2-phenyl-ethyl)-4-phenyl-piperidin-1-ium-4-carboxylate; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; 1-[2-(4-morpholinyl)-2-phenylethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-morpholin-4-yl-2-phenylethyl)-4-phenylpiperidin-1-ium-4-carboxylate; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; 1-(2-morpholino-2-phenyl-ethyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C30H38N2O7 MolecularWeight: 538.63192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(C2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C26H34N2O3.C4H4O4/c1-2-31-25(29)26(23-11-7-4-8-12-23)13-15-27(16-14-26)21-24(22-9-5-3-6-10-22)28-17-19-30-20-18-28;5-3(6)1-2-4(7)8/h3-12,24H,2,13-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-