N-[3-ethyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-5-yl]methanesulfonamide iodide

Systemtic Name: N-[3-ethyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-5-yl]methanesulfonamide iodide Openeye Name: N-[2-[(E)-2-anilinovinyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]methanesulfonamide iodide CAS Name: N-[2-[(E)-2-anilinoethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]methanesulfonamide iodide IUPAC Name: N-[2-[(E)-2-anilinoethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]methanesulfonamide iodide Traditional Name: N-[2-[(E)-2-anilinovinyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]methanesulfonamide iodide Formula: C18H20IN3O3S MolecularWeight: 485.33917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S.HI/c1-3-21-16-13-15(20-25(2,22)23)9-10-17(16)24-18(21)11-12-19-14-7-5-4-6-8-14;/h4-13,20H,3H2,1-2H3;1H