4,8-dimethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 4,8-dimethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 4,8-dimethyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]quinolin-1-ium CAS Name: 4,8-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 4,8-dimethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 4,8-dimethyl-2-(4-tosylpiperazino)quinolin-1-ium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-16-7-9-19(10-8-16)28(26,27)25-13-11-24(12-14-25)21-15-18(3)20-6-4-5-17(2)22(20)23-21/h4-10,15H,11-14H2,1-3H3/p+1