2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]azaniumyl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]azaniumyl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[[(4-allyloxyphenyl)methyl-methyl-ammonio]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]ammonio]methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[[methyl-[(4-prop-2-enoxyphenyl)methyl]azaniumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-allyloxybenzyl)-methyl-ammonio]methyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-3-10-28-16-7-4-14(5-8-16)12-24(2)13-19-22-18-11-15(21(26)27)6-9-17(18)20(25)23-19/h3-9,11H,1,10,12-13H2,2H3,(H,26,27)(H,22,23,25)