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

Systemtic Name: [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(4-ethoxycarbonyl-4-phenyl-1-piperidin-1-iumyl)-1-phenylethyl]-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: [2-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)-1-phenylethyl]-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: [2-(4-carbethoxy-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C32H40N2O10 MolecularWeight: 612.6674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(C2=CC=CC=C2)[NH+](C)C)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC([NH+](C)C)C2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C24H32N2O2.2C4H4O4/c1-4-28-23(27)24(21-13-9-6-10-14-21)15-17-26(18-16-24)19-22(25(2)3)20-11-7-5-8-12-20;2*5-3(6)1-2-4(7)8/h5-14,22H,4,15-19H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-