[(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(1H-benzimidazol-2-ylmethyl)-3-m-anisyl-piperidin-1-ium-3-yl]methanol Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC[NH+](C2)CC3=NC4=CC=CC=C4N3)CO

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@]2(CCC[NH+](C2)CC3=NC4=CC=CC=C4N3)CO

InChI

InChI=1S/C22H27N3O2/c1-27-18-7-4-6-17(12-18)13-22(16-26)10-5-11-25(15-22)14-21-23-19-8-2-3-9-20(19)24-21/h2-4,6-9,12,26H,5,10-11,13-16H2,1H3,(H,23,24)/p+1/t22-/m1/s1