1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: 1-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: 1-(2,4-ditert-amylphenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C23H40NO3+ MolecularWeight: 378.5686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(C[NH+]2CCOCC2)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(C[NH+]2CCOCC2)O)C(C)(C)CC

InChI

InChI=1S/C23H39NO3/c1-7-22(3,4)18-9-10-21(20(15-18)23(5,6)8-2)27-17-19(25)16-24-11-13-26-14-12-24/h9-10,15,19,25H,7-8,11-14,16-17H2,1-6H3/p+1