(4-azanylquinazolin-3-ium-2-yl)methyl 4-(dimethylamino)benzoate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 4-(dimethylamino)benzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-22(2)13-9-7-12(8-10-13)18(23)24-11-16-20-15-6-4-3-5-14(15)17(19)21-16/h3-10H,11H2,1-2H3,(H2,19,20,21)/p+1