6-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-methyl-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-2-phenyl-cinchoninamide Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c1-17-7-8-22-20(13-17)21(14-23(27-22)18-5-3-2-4-6-18)24(30)28-25-26-19(16-32-25)15-29-9-11-31-12-10-29/h2-8,13-14,16H,9-12,15H2,1H3,(H,26,28,30)/p+1