[(2R)-3-azaniumyl-2-oxidanyl-propyl]-(furan-2-ylmethyl)-[(4-propoxyphenyl)methyl]azanium

Systemtic Name: [(2R)-3-azaniumyl-2-oxidanyl-propyl]-(furan-2-ylmethyl)-[(4-propoxyphenyl)methyl]azanium Openeye Name: [(2R)-3-azaniumyl-2-hydroxy-propyl]-(2-furylmethyl)-[(4-propoxyphenyl)methyl]ammonium CAS Name: [(2R)-3-ammonio-2-hydroxypropyl]-(2-furanylmethyl)-[(4-propoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-3-azaniumyl-2-hydroxypropyl]-(furan-2-ylmethyl)-[(4-propoxyphenyl)methyl]azanium Traditional Name: [(2R)-3-ammonio-2-hydroxy-propyl]-(2-furfuryl)-(4-propoxybenzyl)ammonium Formula: C18H28N2O3+2 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC(C[NH3+])O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C[NH+](CC2=CC=CO2)C[C@@H](C[NH3+])O

InChI

InChI=1S/C18H26N2O3/c1-2-9-22-17-7-5-15(6-8-17)12-20(13-16(21)11-19)14-18-4-3-10-23-18/h3-8,10,16,21H,2,9,11-14,19H2,1H3/p+2/t16-/m1/s1