cyclohexyl-[(2-methylphenyl)methyl]-[[5-(2-pyridin-2-ylethylcarbamoyl)furan-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-[(2-methylphenyl)methyl]-[[5-(2-pyridin-2-ylethylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: cyclohexyl-(o-tolylmethyl)-[[5-[2-(2-pyridyl)ethylcarbamoyl]-2-furyl]methyl]ammonium CAS Name: cyclohexyl-[(2-methylphenyl)methyl]-[[5-[oxo-[2-(2-pyridinyl)ethylamino]methyl]-2-furanyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2-methylphenyl)methyl]-[[5-(2-pyridin-2-ylethylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: cyclohexyl-(2-methylbenzyl)-[[5-[2-(2-pyridyl)ethylcarbamoyl]-2-furyl]methyl]ammonium Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC=C(O2)C(=O)NCCC3=CC=CC=N3)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC=C(O2)C(=O)NCCC3=CC=CC=N3)C4CCCCC4

InChI

InChI=1S/C27H33N3O2/c1-21-9-5-6-10-22(21)19-30(24-12-3-2-4-13-24)20-25-14-15-26(32-25)27(31)29-18-16-23-11-7-8-17-28-23/h5-11,14-15,17,24H,2-4,12-13,16,18-20H2,1H3,(H,29,31)/p+1