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

Systemtic Name: 3-[(4-methylphenyl)methyl]-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: N-phenyl-3-(p-tolylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-[(4-methylphenyl)methyl]-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-[(4-methylphenyl)methyl]-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(4-methylbenzyl)-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H28N3O2S2+ MolecularWeight: 490.66012

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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)N4CCCC4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S2/c1-21-9-11-22(12-10-21)19-30-26(20-33-27(30)28-24-7-3-2-4-8-24)23-13-15-25(16-14-23)34(31,32)29-17-5-6-18-29/h2-4,7-16,20H,5-6,17-19H2,1H3/p+1