8-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline Openeye Name: 8-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline CAS Name: 8-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 8-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline Traditional Name: 8-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonylquinoline Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-17-6-2-3-7-19(17)16-23-12-14-24(15-13-23)27(25,26)20-10-4-8-18-9-5-11-22-21(18)20/h2-11H,12-16H2,1H3/p+1