(2S,6S)-4-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2,6-dimethyl-morpholin-4-ium

Systemtic Name: (2S,6S)-4-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2,6-dimethyl-morpholin-4-ium Openeye Name: (2S,6S)-4-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2,6-dimethyl-morpholin-4-ium CAS Name: (2S,6S)-4-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2,6-dimethylmorpholin-4-ium IUPAC Name: (2S,6S)-4-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2,6-dimethylmorpholin-4-ium Traditional Name: (2S,6S)-4-[3-(2-tert-butyl-4-methyl-phenoxy)propyl]-2,6-dimethyl-morpholin-4-ium Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCOC2=C(C=C(C=C2)C)C(C)(C)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCOC2=C(C=C(C=C2)C)C(C)(C)C

InChI

InChI=1S/C20H33NO2/c1-15-8-9-19(18(12-15)20(4,5)6)22-11-7-10-21-13-16(2)23-17(3)14-21/h8-9,12,16-17H,7,10-11,13-14H2,1-6H3/p+1/t16-,17-/m0/s1