7-[(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol CAS Name: 7-[(2-fluorophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Formula: C21H18FN3O+2 MolecularWeight: 347.385523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)NC4=CC=CC=[NH+]4)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)NC4=CC=CC=[NH+]4)F

InChI

InChI=1S/C21H16FN3O/c22-17-8-2-1-7-15(17)20(25-18-9-3-4-12-23-18)16-11-10-14-6-5-13-24-19(14)21(16)26/h1-13,20,26H,(H,23,25)/p+2