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2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-phenyl-ethanoyl]amino]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-phenyl-ethanoyl]amino]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name:2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-phenyl-ethanoyl]amino]ethyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate
Openeye Name:2-[[2-(5-chloro-2-methyl-anilino)-2-phenyl-acetyl]amino]ethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate
CAS Name:2-[[2-(5-chloro-2-methylanilino)-1-oxo-2-phenylethyl]amino]ethyl-dimethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate
IUPAC Name:2-[[2-(5-chloro-2-methylanilino)-2-phenylacetyl]amino]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
Traditional Name:2-[[2-(5-chloro-2-methyl-anilino)-2-phenyl-acetyl]amino]ethyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate
Formula: C23H28ClN3O5
MolecularWeight: 461.93852
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(C2=CC=CC=C2)C(=O)NCC[NH+](C)C.C(=CC(=O)[O-])C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C19H24ClN3O.C4H4O4/c1-14-9-10-16(20)13-17(14)22-18(15-7-5-4-6-8-15)19(24)21-11-12-23(2)3;5-3(6)1-2-4(7)8/h4-10,13,18,22H,11-12H2,1-3H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-


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