2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(R)-[(4-methyl-2-pyridin-1-iumyl)amino]-(3-nitrophenyl)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(R)-[(4-methylpyridin-1-ium-2-yl)amino]-(3-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(=CC=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(=CC=C2)[N+](=O)[O-])C3=C(C4=C(C=CC(=N4)C)C=C3)O

InChI

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