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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-(2-phenoxyethyl)ammonium Formula: C24H36N2O4+2 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C24H34N2O4/c1-25(14-15-29-22-8-4-3-5-9-22)17-20-10-11-23(28-2)16-24(20)30-19-21(27)18-26-12-6-7-13-26/h3-5,8-11,16,21,27H,6-7,12-15,17-19H2,1-2H3/p+2/t21-/m1/s1