2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium tosylate Formula: C23H29NO5S MolecularWeight: 431.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=C(C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)/C=C(\C)/OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H22NO2.C7H8O3S/c1-6-17-14-8-11(3)12(4)9-15(14)19-16(17)10-13(5)18-7-2;1-6-2-4-7(5-3-6)11(8,9)10/h8-10H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b13-10+;