2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C19H19N6O+ MolecularWeight: 347.39376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC3=NON=C3C=C2)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CC3=NON=C3C=C2)C4=CC=NC=C4

InChI

InChI=1S/C19H18N6O/c1-12(21-10-14-3-4-17-18(9-14)25-26-24-17)16-11-22-19(23-13(16)2)15-5-7-20-8-6-15/h3-9,11-12,21H,10H2,1-2H3/p+1/t12-/m0/s1