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

Systemtic Name: 3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide dichloride Openeye Name: 3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(4-quinolylamino)phenyl]benzamide dichloride CAS Name: 3-[(1-methyl-4-pyridin-1-iumyl)amino]-N-[4-(4-quinolinylamino)phenyl]benzamide dichloride IUPAC Name: 3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide dichloride Traditional Name: 3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(4-quinolylamino)phenyl]benzamide dichloride Formula: C28H24Cl2N5O- MolecularWeight: 517.42906

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54.[Cl-].[Cl-]

InChI

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