2-(3-heptyl-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide; 4-methylbenzoic acid

Systemtic Name: 2-(3-heptyl-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide; 4-methylbenzoic acid Openeye Name: 2-(2-anilino-3-heptyl-4-oxo-thiazol-3-ium-5-yl)acetamide; 4-methylbenzoic acid CAS Name: 2-(2-anilino-3-heptyl-4-oxo-5-thiazol-3-iumyl)acetamide; 4-methylbenzoic acid IUPAC Name: 2-(2-anilino-3-heptyl-4-oxo-1,3-thiazol-3-ium-5-yl)acetamide; 4-methylbenzoic acid Traditional Name: 2-(2-anilino-3-heptyl-4-keto-2-thiazolin-3-ium-5-yl)acetamide; p-toluic acid Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(SC(C1=O)CC(=O)N)NC2=CC=CC=C2.CC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCC[N+]1=C(SC(C1=O)CC(=O)N)NC2=CC=CC=C2.CC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H25N3O2S.C8H8O2/c1-2-3-4-5-9-12-21-17(23)15(13-16(19)22)24-18(21)20-14-10-7-6-8-11-14;1-6-2-4-7(5-3-6)8(9)10/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H2,19,22);2-5H,1H3,(H,9,10)/p+1