1,1-bis[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-2,5-dihydropyrrol-1-ium

Systemtic Name: 1,1-bis[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-2,5-dihydropyrrol-1-ium Openeye Name: 1,1-bis[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-2,5-dihydropyrrol-1-ium CAS Name: 1,1-bis[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,5-dihydropyrrol-1-ium IUPAC Name: 1,1-bis[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,5-dihydropyrrol-1-ium Traditional Name: 1,1-bis[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-3-pyrrolin-1-ium Formula: C28H40NO2+ MolecularWeight: 422.6227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC[N+]2(CC=CC2)CCOC3=C(C=CC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC[N+]2(CC=CC2)CCOC3=C(C=CC(=C3)C)C(C)C

InChI

InChI=1S/C28H40NO2/c1-21(2)25-11-9-23(5)19-27(25)30-17-15-29(13-7-8-14-29)16-18-31-28-20-24(6)10-12-26(28)22(3)4/h7-12,19-22H,13-18H2,1-6H3/q+1