2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium CAS Name: 2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]quinolin-1-ium Traditional Name: 2-(4-mesitylsulfonylpiperazino)quinolin-1-ium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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