6-ethynyl-2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine

Systemtic Name: 6-ethynyl-2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-benzoxazine Openeye Name: 6-ethynyl-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine CAS Name: 6-ethynyl-2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-1,3-benzoxazine IUPAC Name: 6-ethynyl-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine Traditional Name: 6-ethynyl-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-1,3-benzoxazine Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#C)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#C)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H14N2O2/c1-4-12-8-9-15-13(11-12)16(18-17(2,3)21-15)14-7-5-6-10-19(14)20/h1,5-11H,2-3H3