(3-chlorophenyl)-[2-(2-diethylaminoethylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (3-chlorophenyl)-[2-(2-diethylaminoethylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (3-chlorophenyl)-[2-(2-diethylaminoethylamino)-2-oxo-1-phenyl-ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (3-chlorophenyl)-[2-(2-diethylaminoethylamino)-2-oxo-1-phenylethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (3-chlorophenyl)-[2-(2-diethylaminoethylamino)-2-oxo-1-phenylethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (3-chlorophenyl)-[2-(2-diethylaminoethylamino)-2-keto-1-phenyl-ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C24H30ClN3O5 MolecularWeight: 475.9651

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C(C1=CC=CC=C1)[NH2+]C2=CC(=CC=C2)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCN(CC)CCNC(=O)C(C1=CC=CC=C1)[NH2+]C2=CC(=CC=C2)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H26ClN3O.C4H4O4/c1-3-24(4-2)14-13-22-20(25)19(16-9-6-5-7-10-16)23-18-12-8-11-17(21)15-18;5-3(6)1-2-4(7)8/h5-12,15,19,23H,3-4,13-14H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-