(2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(4-tert-butylphenoxy)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol Formula: C19H32NO2+ MolecularWeight: 306.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO2/c1-19(2,3)16-8-10-18(11-9-16)22-15-17(21)14-20-12-6-4-5-7-13-20/h8-11,17,21H,4-7,12-15H2,1-3H3/p+1/t17-/m0/s1