heptane; 2-(3-hexyl-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide

Systemtic Name: heptane; 2-(3-hexyl-4-oxidanylidene-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide Openeye Name: 2-(2-anilino-3-hexyl-4-oxo-thiazol-3-ium-5-yl)acetamide; heptane CAS Name: 2-(2-anilino-3-hexyl-4-oxo-5-thiazol-3-iumyl)acetamide; heptane IUPAC Name: 2-(2-anilino-3-hexyl-4-oxo-1,3-thiazol-3-ium-5-yl)acetamide; heptane Traditional Name: 2-(2-anilino-3-hexyl-4-keto-2-thiazolin-3-ium-5-yl)acetamide; n-heptane Formula: C24H40N3O2S+ MolecularWeight: 434.6583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S.C7H16/c1-2-3-4-8-11-20-16(22)14(12-15(18)21)23-17(20)19-13-9-6-5-7-10-13;1-3-5-7-6-4-2/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H2,18,21);3-7H2,1-2H3/p+1