(3S)-2-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(5-acetyl-2-ethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(5-acetyl-2-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(5-acetyl-2-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(5-acetyl-2-ethoxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C21H24N2O3/c1-3-26-20-9-8-15(14(2)24)10-18(20)13-23-12-17-7-5-4-6-16(17)11-19(23)21(22)25/h4-10,19H,3,11-13H2,1-2H3,(H2,22,25)/p+1/t19-/m0/s1