(2-methoxy-4-oxidanyl-phenyl)methyl-(2-methyl-1-phenyl-propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (2-methoxy-4-oxidanyl-phenyl)methyl-(2-methyl-1-phenyl-propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (1,1-dimethyl-2-phenyl-ethyl)-[(4-hydroxy-2-methoxy-phenyl)methyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (4-hydroxy-2-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (4-hydroxy-2-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (1,1-dimethyl-2-phenyl-ethyl)-(4-hydroxy-2-methoxy-benzyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)[NH2+]CC2=C(C=C(C=C2)O)OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)[NH2+]CC2=C(C=C(C=C2)O)OC.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H23NO2.C4H4O4/c1-18(2,12-14-7-5-4-6-8-14)19-13-15-9-10-16(20)11-17(15)21-3;5-3(6)1-2-4(7)8/h4-11,19-20H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-