7-methoxycarbonyl-2-[[methyl(thiophen-3-ylmethyl)azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-2-[[methyl(thiophen-3-ylmethyl)azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-2-[[methyl(3-thienylmethyl)ammonio]methyl]quinazolin-4-olate CAS Name: 7-methoxycarbonyl-2-[[methyl(3-thiophenylmethyl)ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-2-[[methyl(thiophen-3-ylmethyl)azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[methyl(3-thenyl)ammonio]methyl]quinazolin-4-olate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-20(8-11-5-6-24-10-11)9-15-18-14-7-12(17(22)23-2)3-4-13(14)16(21)19-15/h3-7,10H,8-9H2,1-2H3,(H,18,19,21)