3-(4-chlorophenyl)propyl-[(3,4-dimethoxyphenyl)methyl]-ethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(4-chlorophenyl)propyl-[(3,4-dimethoxyphenyl)methyl]-ethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-(4-chlorophenyl)propyl-[(3,4-dimethoxyphenyl)methyl]-ethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-(4-chlorophenyl)propyl-[(3,4-dimethoxyphenyl)methyl]-ethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-(4-chlorophenyl)propyl-[(3,4-dimethoxyphenyl)methyl]-ethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-(4-chlorophenyl)propyl-ethyl-veratryl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C24H30ClNO6 MolecularWeight: 463.9511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCC1=CC=C(C=C1)Cl)CC2=CC(=C(C=C2)OC)OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CCCC1=CC=C(C=C1)Cl)CC2=CC(=C(C=C2)OC)OC.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H26ClNO2.C4H4O4/c1-4-22(13-5-6-16-7-10-18(21)11-8-16)15-17-9-12-19(23-2)20(14-17)24-3;5-3(6)1-2-4(7)8/h7-12,14H,4-6,13,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+