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

Systemtic Name: 3-[[3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[4-hydroxy-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=CC=C3)OC)O)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=CC=C3)OC)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4/c1-30(19-20-10-4-3-5-11-20)17-9-16-28-25(32)27(34)23-14-6-7-15-24(23)29-26(33)31(27)21-12-8-13-22(18-21)35-2/h3-8,10-15,18,34H,9,16-17,19H2,1-2H3,(H,28,32)(H,29,33)/p+1