N-[(Z)-1-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-1-en-2-yl]aniline; ethyl sulfate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C=C(C)NC4=CC=CC=C4.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)/C=C(/C)\NC4=CC=CC=C4.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H22N2O.C2H6O4S/c1-3-26-22-17-20(19-10-6-4-7-11-19)14-15-23(22)27-24(26)16-18(2)25-21-12-8-5-9-13-21;1-2-6-7(3,4)5/h4-17H,3H2,1-2H3;2H2,1H3,(H,3,4,5)