(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (1-oxidanyl-1-phenyl-propan-2-yl)-(quinolin-2-ylmethyl)azanium

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (1-oxidanyl-1-phenyl-propan-2-yl)-(quinolin-2-ylmethyl)azanium Openeye Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)-(2-quinolylmethyl)ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; (1-hydroxy-1-phenylpropan-2-yl)-(2-quinolinylmethyl)ammonium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; (1-hydroxy-1-phenylpropan-2-yl)-(quinolin-2-ylmethyl)azanium Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; (2-hydroxy-1-methyl-2-phenyl-ethyl)-(2-quinolylmethyl)ammonium Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=NC3=CC=CC=C3C=C2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=NC3=CC=CC=C3C=C2.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H20N2O.C4H4O4/c1-14(19(22)16-8-3-2-4-9-16)20-13-17-12-11-15-7-5-6-10-18(15)21-17;5-3(6)1-2-4(7)8/h2-12,14,19-20,22H,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+