3-hexyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-hexyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-hexyl-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: 3-hexyl-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-hexyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-hexyl-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C26H34N3O2S2+ MolecularWeight: 484.69706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC4=CC=CC=C4

Isomeric SMILES

CCCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2S2/c1-2-3-4-11-20-29-25(21-32-26(29)27-23-12-7-5-8-13-23)22-14-16-24(17-15-22)33(30,31)28-18-9-6-10-19-28/h5,7-8,12-17,21H,2-4,6,9-11,18-20H2,1H3/p+1