3-[(2-pentan-3-ylquinazolin-3-ium-4-yl)amino]propanoate

Systemtic Name: 3-[(2-pentan-3-ylquinazolin-3-ium-4-yl)amino]propanoate Openeye Name: 3-[[2-(1-ethylpropyl)quinazolin-3-ium-4-yl]amino]propanoate CAS Name: 3-[(2-pentan-3-yl-4-quinazolin-3-iumyl)amino]propanoate IUPAC Name: 3-[(2-pentan-3-ylquinazolin-3-ium-4-yl)amino]propanoate Traditional Name: 3-[[2-(1-ethylpropyl)quinazolin-3-ium-4-yl]amino]propionate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=CC=CC=C2C(=[NH+]1)NCCC(=O)[O-]

Isomeric SMILES

CCC(CC)C1=NC2=CC=CC=C2C(=[NH+]1)NCCC(=O)[O-]

InChI

InChI=1S/C16H21N3O2/c1-3-11(4-2)15-18-13-8-6-5-7-12(13)16(19-15)17-10-9-14(20)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)(H,17,18,19)