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

Systemtic Name: [(2R)-3-azaniumyl-2-oxidanyl-propyl]-(furan-2-ylmethyl)-[(4-methylphenyl)methyl]azanium Openeye Name: [(2R)-3-azaniumyl-2-hydroxy-propyl]-(2-furylmethyl)-(p-tolylmethyl)ammonium CAS Name: [(2R)-3-ammonio-2-hydroxypropyl]-(2-furanylmethyl)-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2R)-3-azaniumyl-2-hydroxypropyl]-(furan-2-ylmethyl)-[(4-methylphenyl)methyl]azanium Traditional Name: [(2R)-3-ammonio-2-hydroxy-propyl]-(2-furfuryl)-(4-methylbenzyl)ammonium Formula: C16H24N2O2+2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC(C[NH3+])O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=CO2)C[C@@H](C[NH3+])O

InChI

InChI=1S/C16H22N2O2/c1-13-4-6-14(7-5-13)10-18(11-15(19)9-17)12-16-3-2-8-20-16/h2-8,15,19H,9-12,17H2,1H3/p+2/t15-/m1/s1