(2R)-2-(acridin-10-ium-9-ylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-2-(9-acridin-10-iumylamino)-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(1H-imidazol-5-yl)propionate Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NC(CC4=CN=CN4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)N[C@H](CC4=CN=CN4)C(=O)[O-]

InChI

InChI=1S/C19H16N4O2/c24-19(25)17(9-12-10-20-11-21-12)23-18-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)18/h1-8,10-11,17H,9H2,(H,20,21)(H,22,23)(H,24,25)/t17-/m1/s1