(3S)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C19H19N3O2S/c1-12-15(21-19(24-12)17-7-4-8-25-17)11-22-10-14-6-3-2-5-13(14)9-16(22)18(20)23/h2-8,16H,9-11H2,1H3,(H2,20,23)/p+1/t16-/m0/s1