3-[(4-methylphenyl)methyl]-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-[(4-methylphenyl)methyl]-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]-3-(p-tolylmethyl)thiazol-3-ium-2-amine CAS Name: 3-[(4-methylphenyl)methyl]-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-[(4-methylphenyl)methyl]-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(4-methylbenzyl)-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:

CC1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S2/c1-22-10-12-23(13-11-22)20-31-27(21-34-28(31)29-25-8-4-2-5-9-25)24-14-16-26(17-15-24)35(32,33)30-18-6-3-7-19-30/h2,4-5,8-17,21H,3,6-7,18-20H2,1H3/p+1