[(1R,2S)-2-(3-methylphenoxy)cyclododecyl]azanium

Systemtic Name: [(1R,2S)-2-(3-methylphenoxy)cyclododecyl]azanium Openeye Name: [(1R,2S)-2-(3-methylphenoxy)cyclododecyl]ammonium CAS Name: [(1R,2S)-2-(3-methylphenoxy)cyclododecyl]ammonium IUPAC Name: [(1R,2S)-2-(3-methylphenoxy)cyclododecyl]azanium Traditional Name: [(1R,2S)-2-(3-methylphenoxy)cyclododecyl]ammonium Formula: C19H32NO+ MolecularWeight: 290.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2CCCCCCCCCCC2[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H]2CCCCCCCCCC[C@H]2[NH3+]

InChI

InChI=1S/C19H31NO/c1-16-11-10-12-17(15-16)21-19-14-9-7-5-3-2-4-6-8-13-18(19)20/h10-12,15,18-19H,2-9,13-14,20H2,1H3/p+1/t18-,19+/m1/s1