4-[(2R)-2-(azepan-1-ium-1-yl)propyl]-2-methoxy-phenol

Systemtic Name: 4-[(2R)-2-(azepan-1-ium-1-yl)propyl]-2-methoxy-phenol Openeye Name: 4-[(2R)-2-(azepan-1-ium-1-yl)propyl]-2-methoxy-phenol CAS Name: 4-[(2R)-2-(1-azepan-1-iumyl)propyl]-2-methoxyphenol IUPAC Name: 4-[(2R)-2-(azepan-1-ium-1-yl)propyl]-2-methoxyphenol Traditional Name: 4-[(2R)-2-(azepan-1-ium-1-yl)propyl]-2-methoxy-phenol Formula: C16H26NO2+ MolecularWeight: 264.38314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2/c1-13(17-9-5-3-4-6-10-17)11-14-7-8-15(18)16(12-14)19-2/h7-8,12-13,18H,3-6,9-11H2,1-2H3/p+1/t13-/m1/s1