4-[[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(3-chloro-4-methoxyphenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C20H18ClNO4/c1-25-19-8-6-15(10-17(19)21)18-9-7-16(26-18)12-22-11-13-2-4-14(5-3-13)20(23)24/h2-10,22H,11-12H2,1H3,(H,23,24)