3-[5-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[2-(1H-indol-3-yl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[2-(1H-indol-3-yl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[2-(1H-indol-3-yl)ethylammonio]methyl]-2-furyl]benzoate Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H20N2O3/c25-22(26)16-5-3-4-15(12-16)21-9-8-18(27-21)14-23-11-10-17-13-24-20-7-2-1-6-19(17)20/h1-9,12-13,23-24H,10-11,14H2,(H,25,26)