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

Systemtic Name: (2S,6S)-4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-2,6-dimethyl-morpholin-4-ium Openeye Name: (2S,6S)-4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-2,6-dimethyl-morpholin-4-ium CAS Name: (2S,6S)-4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2,6-dimethylmorpholin-4-ium IUPAC Name: (2S,6S)-4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2,6-dimethylmorpholin-4-ium Traditional Name: (2S,6S)-4-[4-(2-tert-butyl-4-methyl-phenoxy)butyl]-2,6-dimethyl-morpholin-4-ium Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCCOC2=C(C=C(C=C2)C)C(C)(C)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCCOC2=C(C=C(C=C2)C)C(C)(C)C

InChI

InChI=1S/C21H35NO2/c1-16-9-10-20(19(13-16)21(4,5)6)23-12-8-7-11-22-14-17(2)24-18(3)15-22/h9-10,13,17-18H,7-8,11-12,14-15H2,1-6H3/p+1/t17-,18-/m0/s1