3-(4-chlorophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole Formula: C19H18ClN2O+ MolecularWeight: 325.81202

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN2O/c20-17-7-5-15(6-8-17)19-11-18(23-21-19)13-22-10-9-14-3-1-2-4-16(14)12-22/h1-8,11H,9-10,12-13H2/p+1