2-azanyl-N-(2,6-dimethylphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide

Systemtic Name: 2-azanyl-N-(2,6-dimethylphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide Openeye Name: 2-amino-N-(2,6-dimethylphenyl)-4-phenyl-thiazol-3-ium-5-carboxamide CAS Name: 2-amino-N-(2,6-dimethylphenyl)-4-phenyl-5-thiazol-3-iumcarboxamide IUPAC Name: 2-amino-N-(2,6-dimethylphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide Traditional Name: 2-amino-N-(2,6-dimethylphenyl)-4-phenyl-thiazol-3-ium-5-carboxamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=C([NH+]=C(S2)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=C([NH+]=C(S2)N)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c1-11-7-6-8-12(2)14(11)20-17(22)16-15(21-18(19)23-16)13-9-4-3-5-10-13/h3-10H,1-2H3,(H2,19,21)(H,20,22)/p+1