3-(6,11-dihydrobenzo[c][1]benzoselenepin-11-yl)propyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-(6,11-dihydrobenzo[c][1]benzoselenepin-11-yl)propyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-(6,11-dihydrobenzo[c][1]benzoselenepin-11-yl)propyl-dimethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-(6,11-dihydrobenzo[c][1]benzoselenepin-11-yl)propyl-dimethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-(6,11-dihydrobenzo[c][1]benzoselenepin-11-yl)propyl-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-(6,11-dihydrobenzo[c][1]benzoselenepin-11-yl)propyl-dimethyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C23H27NO4Se MolecularWeight: 460.42478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1C2=CC=CC=C2C[Se]C3=CC=CC=C13.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CCCC1C2=CC=CC=C2C[Se]C3=CC=CC=C13.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H23NSe.C4H4O4/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;5-3(6)1-2-4(7)8/h3-6,8-10,12,17H,7,11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+