1-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]sulfonylphenyl]ethanone Formula: C21H21ClN3O3S+ MolecularWeight: 430.92774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-15(26)16-2-5-18(6-3-16)29(27,28)25-12-10-24(11-13-25)21-8-9-23-20-14-17(22)4-7-19(20)21/h2-9,14H,10-13H2,1H3/p+1