8-(4-methylphenyl)sulfonyl-9-(4-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium

Systemtic Name: 8-(4-methylphenyl)sulfonyl-9-(4-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Openeye Name: 9-(4-methyl-1-piperidyl)-8-(p-tolylsulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium CAS Name: 8-(4-methylphenyl)sulfonyl-9-(4-methyl-1-piperidinyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium IUPAC Name: 8-(4-methylphenyl)sulfonyl-9-(4-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Traditional Name: 9-(4-methylpiperidino)-8-tosyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Formula: C24H27N2O4S+ MolecularWeight: 439.54718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=[NH+]C3=CC4=C(C=C32)OCCO4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=[NH+]C3=CC4=C(C=C32)OCCO4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C24H26N2O4S/c1-16-3-5-18(6-4-16)31(27,28)23-15-25-20-14-22-21(29-11-12-30-22)13-19(20)24(23)26-9-7-17(2)8-10-26/h3-6,13-15,17H,7-12H2,1-2H3/p+1