2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-[(6-methyl-2-pyridin-1-iumyl)amino]-(2-nitrophenyl)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC(C2=C(C3=C(C=CC(=N3)C)C=C2)O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N[C@H](C2=C(C3=C(C=CC(=N3)C)C=C2)O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3/c1-14-6-5-9-20(24-14)26-22(17-7-3-4-8-19(17)27(29)30)18-13-12-16-11-10-15(2)25-21(16)23(18)28/h3-13,22,28H,1-2H3,(H,24,26)/p+1/t22-/m0/s1