8-(phenylsulfonyl)-9-pyrrolidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium

Systemtic Name: 8-(phenylsulfonyl)-9-pyrrolidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Openeye Name: 8-(benzenesulfonyl)-9-pyrrolidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium CAS Name: 8-(benzenesulfonyl)-9-(1-pyrrolidinyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium IUPAC Name: 8-(benzenesulfonyl)-9-pyrrolidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Traditional Name: 8-besyl-9-pyrrolidino-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-ium Formula: C21H21N2O4S+ MolecularWeight: 397.46744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=[NH+]C3=CC4=C(C=C32)OCCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=[NH+]C3=CC4=C(C=C32)OCCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H20N2O4S/c24-28(25,15-6-2-1-3-7-15)20-14-22-17-13-19-18(26-10-11-27-19)12-16(17)21(20)23-8-4-5-9-23/h1-3,6-7,12-14H,4-5,8-11H2/p+1