methyl 2-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C21H24N3O5S+ MolecularWeight: 430.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC4=C(C=CO4)C(=O)OC

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CC[NH+](CC3)CC4=C(C=CO4)C(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-15-12-16-4-3-5-19(20(16)22-13-15)30(26,27)24-9-7-23(8-10-24)14-18-17(6-11-29-18)21(25)28-2/h3-6,11-13H,7-10,14H2,1-2H3/p+1