N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide

Systemtic Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CSC(=N3)N(C4=CC=CC=C4)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CSC(=N3)N(C4=CC=CC=C4)C(=O)C)C

InChI

InChI=1S/C24H28N4OS/c1-18-8-7-11-23(19(18)2)27-14-12-26(13-15-27)16-21-17-30-24(25-21)28(20(3)29)22-9-5-4-6-10-22/h4-11,17H,12-16H2,1-3H3/p+1