2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-amine; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-amine; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-amine CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-amine IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-amine Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; (2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-yl)amine Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+]1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+