dimethyl-[(E)-4-(2-phenethylphenyl)but-3-enyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[(E)-4-(2-phenethylphenyl)but-3-enyl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[(E)-4-(2-phenethylphenyl)but-3-enyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[(E)-4-(2-phenethylphenyl)but-3-enyl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[(E)-4-(2-phenethylphenyl)but-3-enyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: dimethyl-[(E)-4-(2-phenethylphenyl)but-3-enyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC=CC1=CC=CC=C1CCC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CC/C=C/C1=CC=CC=C1CCC2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H25N.C4H4O4/c1-21(2)17-9-8-14-19-12-6-7-13-20(19)16-15-18-10-4-3-5-11-18;5-3(6)1-2-4(7)8/h3-8,10-14H,9,15-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b14-8+;2-1+