6-(quinazolin-3-ium-4-ylamino)hexanoic acid

Systemtic Name: 6-(quinazolin-3-ium-4-ylamino)hexanoic acid Openeye Name: 6-(quinazolin-3-ium-4-ylamino)hexanoic acid CAS Name: 6-(4-quinazolin-3-iumylamino)hexanoic acid IUPAC Name: 6-(quinazolin-3-ium-4-ylamino)hexanoic acid Traditional Name: 6-(quinazolin-3-ium-4-ylamino)hexanoic acid Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[NH+]C=N2)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=[NH+]C=N2)NCCCCCC(=O)O

InChI

InChI=1S/C14H17N3O2/c18-13(19)8-2-1-5-9-15-14-11-6-3-4-7-12(11)16-10-17-14/h3-4,6-7,10H,1-2,5,8-9H2,(H,18,19)(H,15,16,17)/p+1