5-[[tert-butyl-[(3-methylphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[tert-butyl-[(3-methylphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[tert-butyl(m-tolylmethyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[tert-butyl-[(3-methylphenyl)methyl]ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[tert-butyl-[(3-methylphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[tert-butyl-(3-methylbenzyl)ammonio]methyl]-2-furoate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-13-6-5-7-14(10-13)11-19(18(2,3)4)12-15-8-9-16(22-15)17(20)21/h5-10H,11-12H2,1-4H3,(H,20,21)