(4-tert-butylphenyl)methyl-propan-2-yl-[[5-(2-pyridin-2-ylethylcarbamoyl)furan-2-yl]methyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-propan-2-yl-[[5-(2-pyridin-2-ylethylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-isopropyl-[[5-[2-(2-pyridyl)ethylcarbamoyl]-2-furyl]methyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-[[5-[oxo-[2-(2-pyridinyl)ethylamino]methyl]-2-furanyl]methyl]-propan-2-ylammonium IUPAC Name: (4-tert-butylphenyl)methyl-propan-2-yl-[[5-(2-pyridin-2-ylethylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: (4-tert-butylbenzyl)-isopropyl-[[5-[2-(2-pyridyl)ethylcarbamoyl]-2-furyl]methyl]ammonium Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=C(C=C1)C(C)(C)C)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CC(C)[NH+](CC1=CC=C(C=C1)C(C)(C)C)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C27H35N3O2/c1-20(2)30(18-21-9-11-22(12-10-21)27(3,4)5)19-24-13-14-25(32-24)26(31)29-17-15-23-8-6-7-16-28-23/h6-14,16,20H,15,17-19H2,1-5H3,(H,29,31)/p+1