dimethyl-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[2-[phenyl(p-tolyl)methoxy]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: dimethyl-[2-[phenyl(p-tolyl)methoxy]ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[NH+](C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H23NO.C4H4O4/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;5-3(6)1-2-4(7)8/h4-12,18H,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-