N-(2,3-dimethylphenyl)-2-[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(2-methyl-4-phenyl-thiazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(2-methyl-4-phenyl-5-thiazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(2-methyl-4-phenyl-thiazole-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=C(S3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=C(S3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2S/c1-17-8-7-11-21(18(17)2)27-22(30)16-28-12-14-29(15-13-28)25(31)24-23(26-19(3)32-24)20-9-5-4-6-10-20/h4-11H,12-16H2,1-3H3,(H,27,30)/p+1