2-[(2-pentan-3-ylquinazolin-1-ium-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(2-pentan-3-ylquinazolin-1-ium-4-yl)azaniumyl]ethanoate Openeye Name: 2-[[2-(1-ethylpropyl)quinazolin-1-ium-4-yl]ammonio]acetate CAS Name: 2-[(2-pentan-3-yl-4-quinazolin-1-iumyl)ammonio]acetate IUPAC Name: 2-[(2-pentan-3-ylquinazolin-1-ium-4-yl)azaniumyl]acetate Traditional Name: 2-[[2-(1-ethylpropyl)quinazolin-1-ium-4-yl]ammonio]acetate Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=[NH+]C2=CC=CC=C2C(=N1)[NH2+]CC(=O)[O-]

Isomeric SMILES

CCC(CC)C1=[NH+]C2=CC=CC=C2C(=N1)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-3-10(4-2)14-17-12-8-6-5-7-11(12)15(18-14)16-9-13(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)(H,16,17,18)/p+1