[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-yl-methanone Openeye Name: [2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazol-4-yl]-thiomorpholino-methanone CAS Name: [2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-oxazolyl]-thiomorpholin-4-ylmethanone IUPAC Name: [2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone Traditional Name: [2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazol-4-yl]-thiomorpholino-methanone Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=CO3)C(=O)N4CCSCC4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=CO3)C(=O)N4CCSCC4

InChI

InChI=1S/C18H21N3O2S/c22-18(21-7-9-24-10-8-21)16-13-23-17(19-16)12-20-6-5-14-3-1-2-4-15(14)11-20/h1-4,13H,5-12H2/p+1