N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methyl-2-quinolyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C26H30N4O2S/c1-18-7-6-8-19(2)26(18)28-23(31)16-29-11-13-30(14-12-29)25(32)17-33-24-15-20(3)21-9-4-5-10-22(21)27-24/h4-10,15H,11-14,16-17H2,1-3H3,(H,28,31)/p+1