3-(3-ethyl-3-phenyl-2H-indol-1-yl)propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(3-ethyl-3-phenyl-2H-indol-1-yl)propyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-(3-ethyl-3-phenyl-indolin-1-yl)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-(3-ethyl-3-phenyl-2H-indol-1-yl)propyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-(3-ethyl-3-phenyl-2H-indol-1-yl)propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-(3-ethyl-3-phenyl-indolin-1-yl)propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2.C4H4O4/c1-4-21(18-11-6-5-7-12-18)17-23(16-10-15-22(2)3)20-14-9-8-13-19(20)21;5-3(6)1-2-4(7)8/h5-9,11-14H,4,10,15-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-