5-[[(2S)-2-phenethylmorpholin-4-ium-4-yl]methyl]-2,1,3-benzoxadiazole

Systemtic Name: 5-[[(2S)-2-phenethylmorpholin-4-ium-4-yl]methyl]-2,1,3-benzoxadiazole Openeye Name: 5-[[(2S)-2-phenethylmorpholin-4-ium-4-yl]methyl]-2,1,3-benzoxadiazole CAS Name: 5-[[(2S)-2-phenethyl-4-morpholin-4-iumyl]methyl]-2,1,3-benzoxadiazole IUPAC Name: 5-[[(2S)-2-phenethylmorpholin-4-ium-4-yl]methyl]-2,1,3-benzoxadiazole Traditional Name: 5-[[(2S)-2-phenethylmorpholin-4-ium-4-yl]methyl]benzofurazan Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC3=NON=C3C=C2)CCC4=CC=CC=C4

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC3=NON=C3C=C2)CCC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2/c1-2-4-15(5-3-1)6-8-17-14-22(10-11-23-17)13-16-7-9-18-19(12-16)21-24-20-18/h1-5,7,9,12,17H,6,8,10-11,13-14H2/p+1/t17-/m0/s1