2-[(4-methylphenyl)amino]-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-methylphenyl)amino]-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide Openeye Name: 2-(4-methylanilino)-4-phenyl-N-pyridin-1-ium-3-yl-thiazole-5-carboxamide CAS Name: 2-(4-methylanilino)-4-phenyl-N-(3-pyridin-1-iumyl)-5-thiazolecarboxamide IUPAC Name: 2-(4-methylanilino)-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide Traditional Name: 4-phenyl-2-(p-toluidino)-N-pyridin-1-ium-3-yl-thiazole-5-carboxamide Formula: C22H19N4OS+ MolecularWeight: 387.47746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)NC3=C[NH+]=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)NC3=C[NH+]=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS/c1-15-9-11-17(12-10-15)25-22-26-19(16-6-3-2-4-7-16)20(28-22)21(27)24-18-8-5-13-23-14-18/h2-14H,1H3,(H,24,27)(H,25,26)/p+1