ethyl 4-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(4-mesylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C19H25N3O4S/c1-4-26-19(23)18-14(2)15-7-5-6-8-16(15)20-17(18)13-21-9-11-22(12-10-21)27(3,24)25/h5-8H,4,9-13H2,1-3H3/p+1