4-[(R)-(8-oxidanylquinolin-7-yl)-(pyridin-1-ium-2-ylamino)methyl]benzoate

Systemtic Name: 4-[(R)-(8-oxidanylquinolin-7-yl)-(pyridin-1-ium-2-ylamino)methyl]benzoate Openeye Name: 4-[(R)-(8-hydroxy-7-quinolyl)-(pyridin-1-ium-2-ylamino)methyl]benzoate CAS Name: 4-[(R)-(8-hydroxy-7-quinolinyl)-(2-pyridin-1-iumylamino)methyl]benzoate IUPAC Name: 4-[(R)-(8-hydroxyquinolin-7-yl)-(pyridin-1-ium-2-ylamino)methyl]benzoate Traditional Name: 4-[(R)-(8-hydroxy-7-quinolyl)-(pyridin-1-ium-2-ylamino)methyl]benzoate Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(C2=CC=C(C=C2)C(=O)[O-])C3=C(C4=C(C=CC=N4)C=C3)O

Isomeric SMILES

C1=CC=[NH+]C(=C1)N[C@H](C2=CC=C(C=C2)C(=O)[O-])C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C22H17N3O3/c26-21-17(11-10-14-4-3-13-24-20(14)21)19(25-18-5-1-2-12-23-18)15-6-8-16(9-7-15)22(27)28/h1-13,19,26H,(H,23,25)(H,27,28)/t19-/m1/s1