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

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 2-methylbenzoate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C17H16N3O2+ MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C17H15N3O2/c1-11-6-2-3-7-12(11)17(21)22-10-15-19-14-9-5-4-8-13(14)16(18)20-15/h2-9H,10H2,1H3,(H2,18,19,20)/p+1