(3S)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(3,5-dimethoxybenzyl)piperidin-1-ium-3-ol Formula: C14H22NO3+ MolecularWeight: 252.32938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCCC(C2)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC[C@@H](C2)O)OC

InChI

InChI=1S/C14H21NO3/c1-17-13-6-11(7-14(8-13)18-2)9-15-5-3-4-12(16)10-15/h6-8,12,16H,3-5,9-10H2,1-2H3/p+1/t12-/m0/s1