[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [5-(4-ethoxycarbonylphenyl)-2-furyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C(C)(C)CC(C)(C)C

InChI

InChI=1S/C22H31NO3/c1-7-25-20(24)17-10-8-16(9-11-17)19-13-12-18(26-19)14-23-22(5,6)15-21(2,3)4/h8-13,23H,7,14-15H2,1-6H3/p+1