methyl 4-[[[4-(2-hydroxyethylamino)quinazolin-3-ium-2-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(2-hydroxyethylamino)quinazolin-3-ium-2-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(2-hydroxyethylamino)quinazolin-3-ium-2-yl]amino]methyl]benzoate CAS Name: 4-[[[4-(2-hydroxyethylamino)-2-quinazolin-3-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2-hydroxyethylamino)quinazolin-3-ium-2-yl]amino]methyl]benzoate Traditional Name: 4-[[[4-(2-hydroxyethylamino)quinazolin-3-ium-2-yl]amino]methyl]benzoic acid methyl ester Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3C(=[NH+]2)NCCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3C(=[NH+]2)NCCO

InChI

InChI=1S/C19H20N4O3/c1-26-18(25)14-8-6-13(7-9-14)12-21-19-22-16-5-3-2-4-15(16)17(23-19)20-10-11-24/h2-9,24H,10-12H2,1H3,(H2,20,21,22,23)/p+1