[4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium; 5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium; 5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium; 5-hydroxy-5-oxo-pentanoate CAS Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium; 5-hydroxy-5-oxopentanoate IUPAC Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium; 5-hydroxy-5-oxopentanoate Traditional Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium; 5-hydroxy-5-keto-valerate Formula: C32H40N2O4 MolecularWeight: 516.671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.C(CC(=O)O)CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.C(CC(=O)O)CC(=O)[O-]

InChI

InChI=1S/C27H33N2.C5H8O4/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;6-4(7)2-1-3-5(8)9/h9-21H,5-8H2,1-4H3;1-3H2,(H,6,7)(H,8,9)/q+1;/p-1