methyl 5-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H23ClN3O4S2+ MolecularWeight: 481.00802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC)Cl

InChI

InChI=1S/C21H22ClN3O4S2/c1-14-16-5-3-4-6-17(16)23-18(20(14)22)12-24-7-9-25(10-8-24)31(27,28)19-11-15(13-30-19)21(26)29-2/h3-6,11,13H,7-10,12H2,1-2H3/p+1