(2R)-1-[3-(azepan-1-ium-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol

Systemtic Name: (2R)-1-[3-(azepan-1-ium-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol Openeye Name: (2R)-1-[3-(azepan-1-ium-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol CAS Name: (2R)-1-[3-(1-azepan-1-iumyl)propylamino]-3-(4-tert-butyl-2-methylphenoxy)-2-propanol IUPAC Name: (2R)-1-[3-(azepan-1-ium-1-yl)propylamino]-3-(4-tert-butyl-2-methylphenoxy)propan-2-ol Traditional Name: (2R)-1-[3-(azepan-1-ium-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol Formula: C23H41N2O2+ MolecularWeight: 377.58384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNCCC[NH+]2CCCCCC2)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@@H](CNCCC[NH+]2CCCCCC2)O

InChI

InChI=1S/C23H40N2O2/c1-19-16-20(23(2,3)4)10-11-22(19)27-18-21(26)17-24-12-9-15-25-13-7-5-6-8-14-25/h10-11,16,21,24,26H,5-9,12-15,17-18H2,1-4H3/p+1/t21-/m1/s1