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

Systemtic Name: 8-(4-methylphenyl)sulfonyl-9-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Openeye Name: 9-(1-piperidyl)-8-(p-tolylsulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium CAS Name: 8-(4-methylphenyl)sulfonyl-9-(1-piperidinyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium IUPAC Name: 8-(4-methylphenyl)sulfonyl-9-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Traditional Name: 9-piperidino-8-tosyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Formula: C23H25N2O4S+ MolecularWeight: 425.5206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC4=C(C=C3[NH+]=C2)OCCO4)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC4=C(C=C3[NH+]=C2)OCCO4)N5CCCCC5

InChI

InChI=1S/C23H24N2O4S/c1-16-5-7-17(8-6-16)30(26,27)22-15-24-19-14-21-20(28-11-12-29-21)13-18(19)23(22)25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3/p+1