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

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-tert-butylphenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanol Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO/c1-18(2,3)16-10-8-15(9-11-16)17(20)14-19-12-6-4-5-7-13-19/h8-11,17,20H,4-7,12-14H2,1-3H3/p+1/t17-/m1/s1