1-ethyl-4-iodanyl-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium

Systemtic Name: 1-ethyl-4-iodanyl-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium Openeye Name: 1-ethyl-4-iodo-3-(3-isopropylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium CAS Name: 1-ethyl-4-iodo-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium IUPAC Name: 1-ethyl-4-iodo-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium Traditional Name: 1-ethyl-4-iodo-3-m-cumenyl-5-(3-propoxyphenyl)pyridin-1-ium Formula: C25H29INO+ MolecularWeight: 486.40833

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=C(C(=C[N+](=C2)CC)C3=CC(=CC=C3)C(C)C)I

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=C(C(=C[N+](=C2)CC)C3=CC(=CC=C3)C(C)C)I

InChI

InChI=1S/C25H29INO/c1-5-13-28-22-12-8-11-21(15-22)24-17-27(6-2)16-23(25(24)26)20-10-7-9-19(14-20)18(3)4/h7-12,14-18H,5-6,13H2,1-4H3/q+1