N-(2,6-dimethylphenyl)-2-[4-(3-phenylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-(3-phenyl-2-thiophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c1-18-7-6-8-19(2)23(18)26-22(29)17-27-12-14-28(15-13-27)25(30)24-21(11-16-31-24)20-9-4-3-5-10-20/h3-11,16H,12-15,17H2,1-2H3,(H,26,29)/p+1