(E)-but-2-enedioic acid; 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine Openeye Name: 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine IUPAC Name: (E)-but-2-enedioic acid; 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine Traditional Name: fumaric acid; (2-lauryl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-yl)amine Formula: C28H50N2O4 MolecularWeight: 478.7076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CC=C2C(C(CCC2(C1)C)N)(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCN1CC=C2C(C(CCC2(C1)C)N)(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H46N2.C4H4O4/c1-5-6-7-8-9-10-11-12-13-14-18-26-19-16-21-23(2,3)22(25)15-17-24(21,4)20-26;5-3(6)1-2-4(7)8/h16,22H,5-15,17-20,25H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+