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

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]cinchoninamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C[NH+]5CCOCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C[NH+]5CCOCC5)C

InChI

InChI=1S/C26H26N4O2S/c1-17-7-8-20(18(2)13-17)24-14-22(21-5-3-4-6-23(21)28-24)25(31)29-26-27-19(16-33-26)15-30-9-11-32-12-10-30/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,27,29,31)/p+1