(2-methylphenyl)methyl-[[5-[[(1R)-1-phenylethyl]carbamoyl]furan-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (2-methylphenyl)methyl-[[5-[[(1R)-1-phenylethyl]carbamoyl]furan-2-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-(o-tolylmethyl)-[[5-[[(1R)-1-phenylethyl]carbamoyl]-2-furyl]methyl]ammonium CAS Name: (2-methylphenyl)methyl-[[5-[oxo-[[(1R)-1-phenylethyl]amino]methyl]-2-furanyl]methyl]-propan-2-ylammonium IUPAC Name: (2-methylphenyl)methyl-[[5-[[(1R)-1-phenylethyl]carbamoyl]furan-2-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-(2-methylbenzyl)-[[5-[[(1R)-1-phenylethyl]carbamoyl]-2-furyl]methyl]ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC=C(O2)C(=O)NC(C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC=C(O2)C(=O)N[C@H](C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H30N2O2/c1-18(2)27(16-22-13-9-8-10-19(22)3)17-23-14-15-24(29-23)25(28)26-20(4)21-11-6-5-7-12-21/h5-15,18,20H,16-17H2,1-4H3,(H,26,28)/p+1/t20-/m1/s1