2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(R)-[(4-methyl-2-pyridin-1-iumyl)amino]-(4-nitrophenyl)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC(=N4)C)C=C3)O

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@H](C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC(=N4)C)C=C3)O

InChI

InChI=1S/C23H20N4O3/c1-14-11-12-24-20(13-14)26-21(16-5-8-18(9-6-16)27(29)30)19-10-7-17-4-3-15(2)25-22(17)23(19)28/h3-13,21,28H,1-2H3,(H,24,26)/p+1/t21-/m1/s1