[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)-propyl-azanium

Systemtic Name: [(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-(phenylmethyl)-propylammonium IUPAC Name: benzyl-[(2R)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-propylazanium Traditional Name: benzyl-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C24H36NO2+ MolecularWeight: 370.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=CC=C1)CC(COC2=C(C=C(C=C2)C(C)(C)C)C)O

Isomeric SMILES

CCC[NH+](CC1=CC=CC=C1)C[C@H](COC2=C(C=C(C=C2)C(C)(C)C)C)O

InChI

InChI=1S/C24H35NO2/c1-6-14-25(16-20-10-8-7-9-11-20)17-22(26)18-27-23-13-12-21(15-19(23)2)24(3,4)5/h7-13,15,22,26H,6,14,16-18H2,1-5H3/p+1/t22-/m1/s1