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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-tert-butylphenyl)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-tert-butylphenyl)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-2-(4-tert-butylphenyl)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-tert-butylphenyl)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-tert-butylphenyl)propan-2-ol Formula: C19H32NO+ MolecularWeight: 290.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@](C[NH+]1CCCCCC1)(C2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C19H31NO/c1-18(2,3)16-9-11-17(12-10-16)19(4,21)15-20-13-7-5-6-8-14-20/h9-12,21H,5-8,13-15H2,1-4H3/p+1/t19-/m1/s1