(2S)-2-(3,4-dimethoxyphenyl)piperidin-1-ium

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)piperidin-1-ium Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)piperidin-1-ium CAS Name: (2S)-2-(3,4-dimethoxyphenyl)piperidin-1-ium IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)piperidin-1-ium Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)piperidin-1-ium Formula: C13H20NO2+ MolecularWeight: 222.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCC[NH2+]2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CCCC[NH2+]2)OC

InChI

InChI=1S/C13H19NO2/c1-15-12-7-6-10(9-13(12)16-2)11-5-3-4-8-14-11/h6-7,9,11,14H,3-5,8H2,1-2H3/p+1/t11-/m0/s1