2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; 2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-dimethyl-ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; 2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-dimethylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[p-anisyl(2-pyridyl)amino]ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H23N3O.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-