2-[(3-bromophenyl)methyl-pyridin-2-yl-amino]ethyl-ethyl-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-[(3-bromophenyl)methyl-pyridin-2-yl-amino]ethyl-ethyl-methyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-[(3-bromophenyl)methyl-(2-pyridyl)amino]ethyl-ethyl-methyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-[(3-bromophenyl)methyl-(2-pyridinyl)amino]ethyl-ethyl-methylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-[(3-bromophenyl)methyl-pyridin-2-ylamino]ethyl-ethyl-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-[(3-bromobenzyl)-(2-pyridyl)amino]ethyl-ethyl-methyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H26BrN3O4 MolecularWeight: 464.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3.C4H4O4/c1-3-20(2)11-12-21(17-9-4-5-10-19-17)14-15-7-6-8-16(18)13-15;5-3(6)1-2-4(7)8/h4-10,13H,3,11-12,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-