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

Systemtic Name: 7-[[(3-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[[(3-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-1-ium-8-ol CAS Name: 7-[[(3-methyl-2-pyridin-1-iumyl)amino]-(4-nitrophenyl)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[[(3-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[[(3-methylpyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-1-ium-8-ol Formula: C22H20N4O3+2 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

CC1=C([NH+]=CC=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

InChI=1S/C22H18N4O3/c1-14-4-2-13-24-22(14)25-19(16-6-9-17(10-7-16)26(28)29)18-11-8-15-5-3-12-23-20(15)21(18)27/h2-13,19,27H,1H3,(H,24,25)/p+2