N-[(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N-[(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide Openeye Name: N-[(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]aniline iodide CAS Name: N-[(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide IUPAC Name: N-[(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide Traditional Name: [(Z)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-phenyl-amine iodide Formula: C19H21IN2O MolecularWeight: 420.28731

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=CNC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)/C=C\NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H20N2O.HI/c1-4-21-17-12-14(2)15(3)13-18(17)22-19(21)10-11-20-16-8-6-5-7-9-16;/h5-13H,4H2,1-3H3;1H