5-chloranyl-7-[(R)-(2-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(R)-(2-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(R)-(2-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(R)-(2-nitrophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(R)-(2-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(R)-(2-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H16ClN4O3+ MolecularWeight: 407.82974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[C@H](C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O3/c22-16-12-15(21(27)20-13(16)7-5-11-24-20)19(25-18-9-3-4-10-23-18)14-6-1-2-8-17(14)26(28)29/h1-12,19,27H,(H,23,25)/p+1/t19-/m1/s1