6-methyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-1,3-benzoxazole chloride

Systemtic Name: 6-methyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-1,3-benzoxazole chloride Openeye Name: 6-methyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-1,3-benzoxazole chloride CAS Name: 6-methyl-2-[4-(1-pyridin-1-iumylmethyl)phenyl]-1,3-benzoxazole chloride IUPAC Name: 6-methyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-1,3-benzoxazole chloride Traditional Name: 6-methyl-2-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-1,3-benzoxazole chloride Formula: C20H17ClN2O MolecularWeight: 336.81478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)C[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H17N2O.ClH/c1-15-5-10-18-19(13-15)23-20(21-18)17-8-6-16(7-9-17)14-22-11-3-2-4-12-22;/h2-13H,14H2,1H3;1H/q+1;/p-1