(4-azanylquinazolin-3-ium-2-yl)methyl 3-methoxybenzoate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 3-methoxybenzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c1-22-12-6-4-5-11(9-12)17(21)23-10-15-19-14-8-3-2-7-13(14)16(18)20-15/h2-9H,10H2,1H3,(H2,18,19,20)/p+1