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

Systemtic Name: 3-phenethyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-phenethyl-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: 3-phenethyl-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-phenethyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-phenethyl-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C28H30N3O2S2+ MolecularWeight: 504.6867

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S2/c32-35(33,30-19-8-3-9-20-30)26-16-14-24(15-17-26)27-22-34-28(29-25-12-6-2-7-13-25)31(27)21-18-23-10-4-1-5-11-23/h1-2,4-7,10-17,22H,3,8-9,18-21H2/p+1