1-methyl-4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-1-(phenylmethyl)-2H-pyridin-1-ium-6-amine

Systemtic Name: 1-methyl-4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-1-(phenylmethyl)-2H-pyridin-1-ium-6-amine Openeye Name: 1-benzyl-1-methyl-4-[2-(4-methylsulfonylphenyl)-4-(m-tolyl)thiazol-5-yl]-2H-pyridin-1-ium-6-amine CAS Name: 1-methyl-4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-5-thiazolyl]-1-(phenylmethyl)-2H-pyridin-1-ium-6-amine IUPAC Name: 1-benzyl-1-methyl-4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-2H-pyridin-1-ium-6-amine Traditional Name: [1-benzyl-4-[2-(4-mesylphenyl)-4-(m-tolyl)thiazol-5-yl]-1-methyl-2H-pyridin-1-ium-6-yl]amine Formula: C30H30N3O2S2+ MolecularWeight: 528.7081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(SC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC[N+](C(=C4)N)(C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(SC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC[N+](C(=C4)N)(C)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N3O2S2/c1-21-8-7-11-24(18-21)28-29(36-30(32-28)23-12-14-26(15-13-23)37(3,34)35)25-16-17-33(2,27(31)19-25)20-22-9-5-4-6-10-22/h4-16,18-19H,17,20,31H2,1-3H3/q+1