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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-(tetrahydropyran-4-ylmethyl)ammonium Formula: C21H36N2O4+2 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H34N2O4/c1-25-21-12-18(14-22-13-17-6-10-26-11-7-17)4-5-20(21)27-16-19(24)15-23-8-2-3-9-23/h4-5,12,17,19,22,24H,2-3,6-11,13-16H2,1H3/p+2/t19-/m1/s1