N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide chloride

Systemtic Name: N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide chloride Openeye Name: N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-(4-quinolylamino)benzamide chloride CAS Name: N-[3-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-4-(4-quinolinylamino)benzamide chloride IUPAC Name: N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide chloride Traditional Name: N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-(4-quinolylamino)benzamide chloride Formula: C28H24ClN5O MolecularWeight: 481.97606

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.[Cl-]

InChI

InChI=1S/C28H23N5O.ClH/c1-33-17-14-22(15-18-33)30-23-5-4-6-24(19-23)32-28(34)20-9-11-21(12-10-20)31-27-13-16-29-26-8-3-2-7-25(26)27;/h2-19H,1H3,(H2,29,31,32,34);1H