7-chloranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-(4-tosylpiperazino)quinolin-1-ium Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-15-2-5-17(6-3-15)27(25,26)24-12-10-23(11-13-24)20-8-9-22-19-14-16(21)4-7-18(19)20/h2-9,14H,10-13H2,1H3/p+1