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

Systemtic Name: 4-[(2-pentan-3-ylquinazolin-3-ium-4-yl)amino]butanoate Openeye Name: 4-[[2-(1-ethylpropyl)quinazolin-3-ium-4-yl]amino]butanoate CAS Name: 4-[(2-pentan-3-yl-4-quinazolin-3-iumyl)amino]butanoate IUPAC Name: 4-[(2-pentan-3-ylquinazolin-3-ium-4-yl)amino]butanoate Traditional Name: 4-[[2-(1-ethylpropyl)quinazolin-3-ium-4-yl]amino]butyrate Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-3-12(4-2)16-19-14-9-6-5-8-13(14)17(20-16)18-11-7-10-15(21)22/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,21,22)(H,18,19,20)