methanesulfonate; N-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline

Systemtic Name: methanesulfonate; N-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline Openeye Name: methanesulfonate; N-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]aniline CAS Name: methanesulfonate; N-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline IUPAC Name: methanesulfonate; N-[(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline Traditional Name: [(E)-2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-phenyl-amine mesylate Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=CC=CC=C21)C=CNC3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OC2=CC=CC=C21)/C=C/NC3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H14N2O.CH4O3S/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;1-5(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)