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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[3-(3-pyridyloxy)propyl]ammonium Formula: C23H35N3O4+2 MolecularWeight: 417.5417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCCOC2=CN=CC=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCCOC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H33N3O4/c1-28-21-8-7-19(15-24-10-5-13-29-22-6-4-9-25-16-22)23(14-21)30-18-20(27)17-26-11-2-3-12-26/h4,6-9,14,16,20,24,27H,2-3,5,10-13,15,17-18H2,1H3/p+2/t20-/m1/s1