N-[(E)-2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline; 2-methylbenzoate

Systemtic Name: N-[(E)-2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline; 2-methylbenzoate Openeye Name: N-[(E)-2-(3,4-dimethyloxazol-3-ium-2-yl)vinyl]aniline; 2-methylbenzoate CAS Name: N-[(E)-2-(3,4-dimethyl-2-oxazol-3-iumyl)ethenyl]aniline; 2-methylbenzoate IUPAC Name: N-[(E)-2-(3,4-dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline; 2-methylbenzoate Traditional Name: [(E)-2-(3,4-dimethyloxazol-3-ium-2-yl)vinyl]-phenyl-amine; 2-methylbenzoate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)[O-].CC1=COC(=[N+]1C)C=CNC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)[O-].CC1=COC(=[N+]1C)/C=C/NC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O.C8H8O2/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;1-6-4-2-3-5-7(6)8(9)10/h3-10H,1-2H3;2-5H,1H3,(H,9,10)