4-methyl-7-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-methyl-7-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-methyl-7-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-2,3-dihydro-1,4-benzoxazine CAS Name: 4-methyl-7-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-methyl-7-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-methyl-7-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-2,3-dihydro-1,4-benzoxazine Formula: C17H19N2O+ MolecularWeight: 267.34556

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)C=CC3=CC=[N+](C=C3)C

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)/C=C/C3=CC=[N+](C=C3)C

InChI

InChI=1S/C17H19N2O/c1-18-9-7-14(8-10-18)3-4-15-5-6-16-17(13-15)20-12-11-19(16)2/h3-10,13H,11-12H2,1-2H3/q+1