(4-tert-butylphenyl)methyl-[[5-(cyclopropylcarbamoyl)furan-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[[5-(cyclopropylcarbamoyl)furan-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4-tert-butylphenyl)methyl]-[[5-(cyclopropylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-[[5-[(cyclopropylamino)-oxomethyl]-2-furanyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-tert-butylphenyl)methyl]-[[5-(cyclopropylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: benzyl-(4-tert-butylbenzyl)-[[5-(cyclopropylcarbamoyl)-2-furyl]methyl]ammonium Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)NC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)NC4CC4

InChI

InChI=1S/C27H32N2O2/c1-27(2,3)22-11-9-21(10-12-22)18-29(17-20-7-5-4-6-8-20)19-24-15-16-25(31-24)26(30)28-23-13-14-23/h4-12,15-16,23H,13-14,17-19H2,1-3H3,(H,28,30)/p+1