[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[(2S)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[(2S)-1-oxidanylbutan-2-yl]azanium Openeye Name: [5-(4-ethoxycarbonylphenyl)-2-furyl]methyl-[(1S)-1-(hydroxymethyl)propyl]ammonium CAS Name: [5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl-[(2S)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-[(1S)-1-methylolpropyl]ammonium Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[C@@H](CO)[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H23NO4/c1-3-15(12-20)19-11-16-9-10-17(23-16)13-5-7-14(8-6-13)18(21)22-4-2/h5-10,15,19-20H,3-4,11-12H2,1-2H3/p+1/t15-/m0/s1