[2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(4-ethoxycarbonyl-4-phenyl-1-piperidin-1-iumyl)-1-phenylethyl]-diethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [2-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)-1-phenylethyl]-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [2-(4-carbethoxy-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C34H44N2O10 MolecularWeight: 640.72056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](C(C1=CC=CC=C1)C[NH+]2CCC(CC2)(C(=O)OCC)C3=CC=CC=C3)CC.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C26H36N2O2.2C4H4O4/c1-4-28(5-2)24(22-13-9-7-10-14-22)21-27-19-17-26(18-20-27,25(29)30-6-3)23-15-11-8-12-16-23;2*5-3(6)1-2-4(7)8/h7-16,24H,4-6,17-21H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-