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

Systemtic Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [5-(4-methoxycarbonylphenyl)-2-furyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [5-(4-methoxycarbonylphenyl)-2-furanyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [5-(4-methoxycarbonylphenyl)furan-2-yl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [5-(4-carbomethoxyphenyl)-2-furyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H29NO3/c1-20(2,3)14-21(4,5)22-13-17-11-12-18(25-17)15-7-9-16(10-8-15)19(23)24-6/h7-12,22H,13-14H2,1-6H3/p+1