(3,5-dimethyl-1-benzofuran-2-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Openeye Name: (3,5-dimethylbenzofuran-2-yl)-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)methanone Traditional Name: (3,5-dimethylbenzofuran-2-yl)-(4-thiomorpholin-4-ium-4-ylpiperidino)methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC(CC3)[NH+]4CCSCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC(CC3)[NH+]4CCSCC4

InChI

InChI=1S/C20H26N2O2S/c1-14-3-4-18-17(13-14)15(2)19(24-18)20(23)22-7-5-16(6-8-22)21-9-11-25-12-10-21/h3-4,13,16H,5-12H2,1-2H3/p+1