(2S)-2-ethyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium

Systemtic Name: (2S)-2-ethyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium Openeye Name: (2S)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-ethyl-piperidin-1-ium CAS Name: (2S)-2-ethyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: (2S)-2-ethyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium Traditional Name: (2S)-1-(4-benzoxy-3-methoxy-benzyl)-2-ethyl-piperidin-1-ium Formula: C22H30NO2+ MolecularWeight: 340.4791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29NO2/c1-3-20-11-7-8-14-23(20)16-19-12-13-21(22(15-19)24-2)25-17-18-9-5-4-6-10-18/h4-6,9-10,12-13,15,20H,3,7-8,11,14,16-17H2,1-2H3/p+1/t20-/m0/s1