1-[4-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone

Systemtic Name: 1-[4-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[4-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(2-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-(4-quinolin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[4-(4-quinolin-1-ium-2-ylpiperazino)sulfonylphenyl]ethanone Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O3S/c1-16(25)17-6-9-19(10-7-17)28(26,27)24-14-12-23(13-15-24)21-11-8-18-4-2-3-5-20(18)22-21/h2-11H,12-15H2,1H3/p+1