3-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[(5-methyl-2-pyridin-1-iumyl)amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazole-2-thione Formula: C14H14N3OS+ MolecularWeight: 272.34546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCN2C3=CC=CC=C3OC2=S

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C14H13N3OS/c1-10-6-7-13(15-8-10)16-9-17-11-4-2-3-5-12(11)18-14(17)19/h2-8H,9H2,1H3,(H,15,16)/p+1