3-butyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-butyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-butyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-butyl-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-butyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-butyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C23H28N3O2S2+ MolecularWeight: 442.61732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=CC=C4

Isomeric SMILES

CCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S2/c1-2-3-17-26-22(18-29-23(26)24-20-9-5-4-6-10-20)19-11-13-21(14-12-19)30(27,28)25-15-7-8-16-25/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3/p+1