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

Systemtic Name: N-phenyl-3-(phenylmethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-benzyl-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: N-phenyl-3-(phenylmethyl)-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-benzyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-benzyl-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H28N3O2S2+ MolecularWeight: 490.66012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S2/c31-34(32,29-18-8-3-9-19-29)25-16-14-23(15-17-25)26-21-33-27(28-24-12-6-2-7-13-24)30(26)20-22-10-4-1-5-11-22/h1-2,4-7,10-17,21H,3,8-9,18-20H2/p+1