5-chloranyl-7-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(R)-(3-nitrophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(R)-(3-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=[NH+]C(=C1)NC(C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C4C=CC=NC4=C3O)Cl

Isomeric SMILES

C1=CC=[NH+]C(=C1)N[C@H](C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C4C=CC=NC4=C3O)Cl

InChI

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