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

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 4-ethoxybenzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C18H17N3O3/c1-2-23-13-9-7-12(8-10-13)18(22)24-11-16-20-15-6-4-3-5-14(15)17(19)21-16/h3-10H,2,11H2,1H3,(H2,19,20,21)/p+1