(3R)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[(2-ethylthiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[(2-ethyl-4-thiazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[(2-ethylthiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CCC1=NC(=CS1)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)N

InChI

InChI=1S/C16H19N3OS/c1-2-15-18-13(10-21-15)9-19-8-12-6-4-3-5-11(12)7-14(19)16(17)20/h3-6,10,14H,2,7-9H2,1H3,(H2,17,20)/p+1/t14-/m1/s1