(8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-phenethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-phenethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (8-ethyltetralin-1-yl)methyl-phenethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-phenethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-phenethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (8-ethyltetralin-1-yl)methyl-phenethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(CCC2)C[NH2+]CCC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1C(CCC2)C[NH2+]CCC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H27N.C4H4O4/c1-2-18-10-6-11-19-12-7-13-20(21(18)19)16-22-15-14-17-8-4-3-5-9-17;5-3(6)1-2-4(7)8/h3-6,8-11,20,22H,2,7,12-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-