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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCC2=CC=NC=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCC2=CC=NC=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H31N3O3/c1-27-21-5-4-19(15-24-11-8-18-6-9-23-10-7-18)22(14-21)28-17-20(26)16-25-12-2-3-13-25/h4-7,9-10,14,20,24,26H,2-3,8,11-13,15-17H2,1H3/p+2/t20-/m1/s1