diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[2-(3-ethyl-3-phenyl-indolin-1-yl)ethyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[2-(3-ethyl-3-phenyl-2H-indol-1-yl)ethyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[2-(3-ethyl-3-phenyl-indolin-1-yl)ethyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C2=CC=CC=C21)CC[NH+](CC)CC)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCC1(CN(C2=CC=CC=C21)CC[NH+](CC)CC)C3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C22H30N2.C4H4O4/c1-4-22(19-12-8-7-9-13-19)18-24(17-16-23(5-2)6-3)21-15-11-10-14-20(21)22;5-3(6)1-2-4(7)8/h7-15H,4-6,16-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+