[(3S)-3-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-m-anisyl-1-p-anisyl-piperidin-1-ium-3-yl]methanol Formula: C22H30NO3+ MolecularWeight: 356.4785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCC(C2)(CC3=CC(=CC=C3)OC)CO

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC[C@@](C2)(CC3=CC(=CC=C3)OC)CO

InChI

InChI=1S/C22H29NO3/c1-25-20-9-7-18(8-10-20)15-23-12-4-11-22(16-23,17-24)14-19-5-3-6-21(13-19)26-2/h3,5-10,13,24H,4,11-12,14-17H2,1-2H3/p+1/t22-/m0/s1