[(3S)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(3-benzoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]methanol Formula: C21H28NO3+ MolecularWeight: 342.45192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)CO)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)CO)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3/c1-24-20-10-9-18(13-22-11-5-8-19(14-22)15-23)12-21(20)25-16-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,23H,5,8,11,13-16H2,1H3/p+1/t19-/m0/s1