2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-methyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]quinolin-1-ium CAS Name: 2-methyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-methyl-4-(4-tosylpiperazino)quinolin-1-ium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C

InChI

InChI=1S/C21H23N3O2S/c1-16-7-9-18(10-8-16)27(25,26)24-13-11-23(12-14-24)21-15-17(2)22-20-6-4-3-5-19(20)21/h3-10,15H,11-14H2,1-2H3/p+1