(4-azanylquinazolin-3-ium-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C18H17ClN3O4+ MolecularWeight: 374.79828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4/c1-24-14-8-10(7-12(19)16(14)25-2)18(23)26-9-15-21-13-6-4-3-5-11(13)17(20)22-15/h3-8H,9H2,1-2H3,(H2,20,21,22)/p+1