[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]-thiomorpholin-4-yl-methanone Openeye Name: [3-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]oxy]phenyl]-thiomorpholino-methanone CAS Name: [3-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]oxy]phenyl]-thiomorpholin-4-ylmethanone IUPAC Name: [3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]-thiomorpholin-4-ylmethanone Traditional Name: [3-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]oxy]phenyl]-thiomorpholino-methanone Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCSCC4

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCSCC4

InChI

InChI=1S/C22H33N3O2S/c1-23-9-5-19(6-10-23)24-11-7-20(8-12-24)27-21-4-2-3-18(17-21)22(26)25-13-15-28-16-14-25/h2-4,17,19-20H,5-16H2,1H3/p+1