2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol Openeye Name: 2-methyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]quinolin-8-ol CAS Name: 2-methyl-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-8-quinolinol IUPAC Name: 2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinolin-8-ol Traditional Name: 2-methyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]quinolin-8-ol Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)O

InChI

InChI=1S/C19H21N3O3S2/c1-14-4-6-16-15(5-7-17(23)19(16)20-14)13-21-8-10-22(11-9-21)27(24,25)18-3-2-12-26-18/h2-7,12,23H,8-11,13H2,1H3/p+1