3-(4-ethylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-(4-ethylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21N3O/c1-2-15-7-9-17(10-8-15)20-21-19(24-22-20)14-23-12-11-16-5-3-4-6-18(16)13-23/h3-10H,2,11-14H2,1H3/p+1