N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-amine

Systemtic Name: N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-amine Openeye Name: N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-amine CAS Name: N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)-2-pyridin-1-iumamine IUPAC Name: N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-amine Traditional Name: methyl-[3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-yl]amine Formula: C14H14N3O+ MolecularWeight: 240.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C([NH+]=CC=C3)NC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C([NH+]=CC=C3)NC

InChI

InChI=1S/C14H13N3O/c1-9-5-6-12-11(8-9)17-14(18-12)10-4-3-7-16-13(10)15-2/h3-8H,1-2H3,(H,15,16)/p+1