N-(1,2-oxazol-3-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,2-oxazol-3-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(isoxazol-3-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(3-isoxazolylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-(1,2-oxazol-3-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(isoxazol-3-ylmethyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C18H19N4O3+ MolecularWeight: 339.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NCC4=NOC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NCC4=NOC=C4

InChI

InChI=1S/C18H18N4O3/c23-18(19-10-15-6-8-24-20-15)17-9-16(25-21-17)12-22-7-5-13-3-1-2-4-14(13)11-22/h1-4,6,8-9H,5,7,10-12H2,(H,19,23)/p+1