N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methyl-aniline; ethyl sulfate

Systemtic Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methyl-aniline; ethyl sulfate Openeye Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-methyl-aniline; ethyl sulfate CAS Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methylaniline; ethyl sulfate IUPAC Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-methylaniline; ethyl sulfate Traditional Name: [(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-methyl-phenyl-amine; ethyl sulfate Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C=CN(C)C4=CC=CC=C4.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)/C=C/N(C)C4=CC=CC=C4.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H23N2O.C2H6O4S/c1-3-26-22-18-20(19-10-6-4-7-11-19)14-15-23(22)27-24(26)16-17-25(2)21-12-8-5-9-13-21;1-2-6-7(3,4)5/h4-18H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1