furan-2-ylmethyl-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium CAS Name: 2-furanylmethyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium Traditional Name: benzyl-(2-furfuryl)-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)O

InChI

InChI=1S/C22H25NO3/c1-18-9-11-21(12-10-18)26-17-20(24)15-23(16-22-8-5-13-25-22)14-19-6-3-2-4-7-19/h2-13,20,24H,14-17H2,1H3/p+1/t20-/m1/s1