[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C22H33N3O3+2 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H31N3O3/c1-24(14-18-6-5-9-23-13-18)15-19-7-8-21(27-2)12-22(19)28-17-20(26)16-25-10-3-4-11-25/h5-9,12-13,20,26H,3-4,10-11,14-17H2,1-2H3/p+2/t20-/m1/s1