[(2S)-3-(2-tert-butyl-4-methyl-phenoxy)-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methyl-phenoxy)-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methyl-phenoxy)-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methyl-phenoxy)-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+](C)C2CCCCC2)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH+](C)C2CCCCC2)O)C(C)(C)C

InChI

InChI=1S/C21H35NO2/c1-16-11-12-20(19(13-16)21(2,3)4)24-15-18(23)14-22(5)17-9-7-6-8-10-17/h11-13,17-18,23H,6-10,14-15H2,1-5H3/p+1/t18-/m0/s1