(2S)-1-(azepan-1-ium-1-yl)-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCCCCC2)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCCCCC2)O)C(C)C

InChI

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