6-[2-[(4-fluorophenyl)amino]-4-(4-nitrophenyl)-1,3-thiazol-3-ium-3-yl]hexan-1-ol

Systemtic Name: 6-[2-[(4-fluorophenyl)amino]-4-(4-nitrophenyl)-1,3-thiazol-3-ium-3-yl]hexan-1-ol Openeye Name: 6-[2-(4-fluoroanilino)-4-(4-nitrophenyl)thiazol-3-ium-3-yl]hexan-1-ol CAS Name: 6-[2-(4-fluoroanilino)-4-(4-nitrophenyl)-3-thiazol-3-iumyl]-1-hexanol IUPAC Name: 6-[2-(4-fluoroanilino)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-3-yl]hexan-1-ol Traditional Name: 6-[2-(4-fluoroanilino)-4-(4-nitrophenyl)thiazol-3-ium-3-yl]hexan-1-ol Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=[N+]2CCCCCCO)NC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=[N+]2CCCCCCO)NC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O3S/c22-17-7-9-18(10-8-17)23-21-24(13-3-1-2-4-14-26)20(15-29-21)16-5-11-19(12-6-16)25(27)28/h5-12,15,26H,1-4,13-14H2/p+1