[(1R)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NCC(C2=CC=CO2)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC[C@H](C2=CC=CO2)[NH+](C)C

InChI

InChI=1S/C21H30N2O2/c1-21(2,3)17-11-8-16(9-12-17)10-13-20(24)22-15-18(23(4)5)19-7-6-14-25-19/h6-9,11-12,14,18H,10,13,15H2,1-5H3,(H,22,24)/p+1/t18-/m1/s1