(1S)-2-(azepan-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-isopropylphenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-propan-2-ylphenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-p-cumenyl-ethanol Formula: C17H28NO+ MolecularWeight: 262.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-14(2)15-7-9-16(10-8-15)17(19)13-18-11-5-3-4-6-12-18/h7-10,14,17,19H,3-6,11-13H2,1-2H3/p+1/t17-/m1/s1