(4-tert-butylphenyl)methyl-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)furan-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)furan-2-yl]methyl]-propan-2-yl-azanium Openeye Name: (4-tert-butylphenyl)methyl-isopropyl-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-[[5-[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]-2-furanyl]methyl]-propan-2-ylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)furan-2-yl]methyl]-propan-2-ylazanium Traditional Name: (4-tert-butylbenzyl)-isopropyl-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-2-furyl]methyl]ammonium Formula: C27H43N3O2+2 MolecularWeight: 441.64922

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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)NCC[NH+]3CCCCC3

Isomeric SMILES

CC(C)[NH+](CC1=CC=C(C=C1)C(C)(C)C)CC2=CC=C(O2)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C27H41N3O2/c1-21(2)30(19-22-9-11-23(12-10-22)27(3,4)5)20-24-13-14-25(32-24)26(31)28-15-18-29-16-7-6-8-17-29/h9-14,21H,6-8,15-20H2,1-5H3,(H,28,31)/p+2