4-[4-(azepan-1-ylsulfonyl)phenyl]-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-hexyl-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-hexyl-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-hexyl-thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H36N3O2S2+ MolecularWeight: 498.72364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC4=CC=CC=C4

Isomeric SMILES

CCCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2S2/c1-2-3-4-12-21-30-26(22-33-27(30)28-24-13-8-7-9-14-24)23-15-17-25(18-16-23)34(31,32)29-19-10-5-6-11-20-29/h7-9,13-18,22H,2-6,10-12,19-21H2,1H3/p+1