(3S)-3-(3-propan-2-ylphenoxy)piperidin-1-ium

Systemtic Name: (3S)-3-(3-propan-2-ylphenoxy)piperidin-1-ium Openeye Name: (3S)-3-(3-isopropylphenoxy)piperidin-1-ium CAS Name: (3S)-3-(3-propan-2-ylphenoxy)piperidin-1-ium IUPAC Name: (3S)-3-(3-propan-2-ylphenoxy)piperidin-1-ium Traditional Name: (3S)-3-(3-isopropylphenoxy)piperidin-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC2CCC[NH2+]C2

Isomeric SMILES

CC(C)C1=CC(=CC=C1)O[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H21NO/c1-11(2)12-5-3-6-13(9-12)16-14-7-4-8-15-10-14/h3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3/p+1/t14-/m0/s1