(2R)-1-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C25H36N2O3+2 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2)OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C25H34N2O3/c1-29-24-10-9-20(16-27-14-11-21-7-3-4-8-22(21)17-27)15-25(24)30-19-23(28)18-26-12-5-2-6-13-26/h3-4,7-10,15,23,28H,2,5-6,11-14,16-19H2,1H3/p+2/t23-/m1/s1