(4-azanylquinazolin-3-ium-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C18H17N3O3S/c1-23-15-9-11(25-2)7-8-13(15)18(22)24-10-16-20-14-6-4-3-5-12(14)17(19)21-16/h3-9H,10H2,1-2H3,(H2,19,20,21)/p+1