2-[2-[2,3-bis(2-methylpropyl)phenyl]-4-phenoxy-butan-2-yl]-2-methyl-1,2-oxazetidin-2-ium

Systemtic Name: 2-[2-[2,3-bis(2-methylpropyl)phenyl]-4-phenoxy-butan-2-yl]-2-methyl-1,2-oxazetidin-2-ium Openeye Name: 2-[1-(2,3-diisobutylphenyl)-1-methyl-3-phenoxy-propyl]-2-methyl-oxazetidin-2-ium CAS Name: 2-[2-[2,3-bis(2-methylpropyl)phenyl]-4-phenoxybutan-2-yl]-2-methyloxazetidin-2-ium IUPAC Name: 2-[2-[2,3-bis(2-methylpropyl)phenyl]-4-phenoxybutan-2-yl]-2-methyloxazetidin-2-ium Traditional Name: 2-[1-(2,3-diisobutylphenyl)-1-methyl-3-phenoxy-propyl]-2-methyl-oxazetidin-2-ium Formula: C27H40NO2+ MolecularWeight: 410.612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=CC=C1)C(C)(CCOC2=CC=CC=C2)[N+]3(CCO3)C)CC(C)C

Isomeric SMILES

CC(C)CC1=C(C(=CC=C1)C(C)(CCOC2=CC=CC=C2)[N+]3(CCO3)C)CC(C)C

InChI

InChI=1S/C27H40NO2/c1-21(2)19-23-11-10-14-26(25(23)20-22(3)4)27(5,28(6)16-18-30-28)15-17-29-24-12-8-7-9-13-24/h7-14,21-22H,15-20H2,1-6H3/q+1