2-[2-(1-methoxy-4-propan-2-yloxy-cyclohexa-2,4-dien-1-yl)-3-propan-2-yloxy-phenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide

Systemtic Name: 2-[2-(1-methoxy-4-propan-2-yloxy-cyclohexa-2,4-dien-1-yl)-3-propan-2-yloxy-phenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Openeye Name: 2-[3-isopropoxy-2-(4-isopropoxy-1-methoxy-cyclohexa-2,4-dien-1-yl)phenyl]-3,4,4-trimethyl-5H-oxazol-3-ium iodide CAS Name: 2-[2-(1-methoxy-4-propan-2-yloxy-1-cyclohexa-2,4-dienyl)-3-propan-2-yloxyphenyl]-3,4,4-trimethyl-5H-oxazol-3-ium iodide IUPAC Name: 2-[2-(1-methoxy-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)-3-propan-2-yloxyphenyl]-3,4,4-trimethyl-5H-1,3-oxazol-3-ium iodide Traditional Name: 2-[3-isopropoxy-2-(4-isopropoxy-1-methoxy-cyclohexa-2,4-dien-1-yl)phenyl]-3,4,4-trimethyl-2-oxazolin-3-ium iodide Formula: C25H36INO4 MolecularWeight: 541.46211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CCC(C=C1)(C2=C(C=CC=C2OC(C)C)C3=[N+](C(CO3)(C)C)C)OC.[I-]

Isomeric SMILES

CC(C)OC1=CCC(C=C1)(C2=C(C=CC=C2OC(C)C)C3=[N+](C(CO3)(C)C)C)OC.[I-]

InChI

InChI=1S/C25H36NO4.HI/c1-17(2)29-19-12-14-25(27-8,15-13-19)22-20(10-9-11-21(22)30-18(3)4)23-26(7)24(5,6)16-28-23;/h9-14,17-18H,15-16H2,1-8H3;1H/q+1;/p-1