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

Systemtic Name: dimethyl-[3-(2-oxidanylidene-3-phenyl-3H-indol-1-yl)propyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[3-(2-oxo-3-phenyl-indolin-1-yl)propyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 3-(2-keto-3-phenyl-indolin-1-yl)propyl-dimethyl-ammonium Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H22N2O.C4H4O4/c1-20(2)13-8-14-21-17-12-7-6-11-16(17)18(19(21)22)15-9-4-3-5-10-15;5-3(6)1-2-4(7)8/h3-7,9-12,18H,8,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+