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

Systemtic Name: 3-butyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-butyl-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: 3-butyl-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-butyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-butyl-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C24H30N3O2S2+ MolecularWeight: 456.6439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S2/c1-2-3-18-27-23(19-30-24(27)25-21-10-6-4-7-11-21)20-12-14-22(15-13-20)31(28,29)26-16-8-5-9-17-26/h4,6-7,10-15,19H,2-3,5,8-9,16-18H2,1H3/p+1