piperidin-1-yl-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: 1-piperidyl-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: 1-piperidinyl-[2-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: piperidino-[2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C22H33N2O2S+ MolecularWeight: 389.57462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)C4CCSCC4

InChI

InChI=1S/C22H32N2O2S/c25-22(24-12-4-1-5-13-24)20-6-2-3-7-21(20)26-19-8-14-23(15-9-19)18-10-16-27-17-11-18/h2-3,6-7,18-19H,1,4-5,8-17H2/p+1