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

Systemtic Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(4-ethoxycarbonylphenyl)-2-furyl]methyl]ammonium CAS Name: [5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: benzyl-[[5-(4-carbethoxyphenyl)-2-furyl]methyl]ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-2-24-21(23)18-10-8-17(9-11-18)20-13-12-19(25-20)15-22-14-16-6-4-3-5-7-16/h3-13,22H,2,14-15H2,1H3/p+1