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

Systemtic Name: 3-cyclohexyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-cyclohexyl-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: 3-cyclohexyl-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-cyclohexyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-cyclohexyl-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C26H32N3O2S2+ MolecularWeight: 482.68118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O2S2/c30-33(31,28-18-8-3-9-19-28)24-16-14-21(15-17-24)25-20-32-26(27-22-10-4-1-5-11-22)29(25)23-12-6-2-7-13-23/h1,4-5,10-11,14-17,20,23H,2-3,6-9,12-13,18-19H2/p+1