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

Systemtic Name: 4-[[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H18ClNO3/c1-13-17(3-2-4-18(13)21)19-10-9-16(25-19)12-22-11-14-5-7-15(8-6-14)20(23)24/h2-10,22H,11-12H2,1H3,(H,23,24)