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

Systemtic Name: N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-2-amine Openeye Name: N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]-3-(3-pyridylmethyl)thiazol-3-ium-2-amine CAS Name: N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-3-(3-pyridinylmethyl)-2-thiazol-3-iumamine IUPAC Name: N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-2-amine Traditional Name: phenyl-[4-(4-piperidinosulfonylphenyl)-3-(3-pyridylmethyl)thiazol-3-ium-2-yl]amine Formula: C26H27N4O2S2+ MolecularWeight: 491.64818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2S2/c31-34(32,29-16-5-2-6-17-29)24-13-11-22(12-14-24)25-20-33-26(28-23-9-3-1-4-10-23)30(25)19-21-8-7-15-27-18-21/h1,3-4,7-15,18,20H,2,5-6,16-17,19H2/p+1