(4-azanylquinazolin-3-ium-2-yl)methyl 2,6-dimethoxybenzoate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 2,6-dimethoxybenzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C18H18N3O4+ MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-23-13-8-5-9-14(24-2)16(13)18(22)25-10-15-20-12-7-4-3-6-11(12)17(19)21-15/h3-9H,10H2,1-2H3,(H2,19,20,21)/p+1