3-[[3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(4-hydroxy-2-keto-3-p-phenetyl-1H-quinazoline-4-carbonyl)amino]propyl]-methyl-ammonium Formula: C28H33N4O4+ MolecularWeight: 489.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+](C)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+](C)CC4=CC=CC=C4)O

InChI

InChI=1S/C28H32N4O4/c1-3-36-23-16-14-22(15-17-23)32-27(34)30-25-13-8-7-12-24(25)28(32,35)26(33)29-18-9-19-31(2)20-21-10-5-4-6-11-21/h4-8,10-17,35H,3,9,18-20H2,1-2H3,(H,29,33)(H,30,34)/p+1