(3S)-3-[(2,5-dimethylphenoxy)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[(2,5-dimethylphenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(2,5-dimethylphenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(2,5-dimethylphenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(2,5-dimethylphenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(2,5-dimethylphenoxy)methyl]piperidin-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H21NO/c1-11-5-6-12(2)14(8-11)16-10-13-4-3-7-15-9-13/h5-6,8,13,15H,3-4,7,9-10H2,1-2H3/p+1/t13-/m0/s1