pyrrolidin-1-yl-[3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: pyrrolidin-1-yl-[3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: pyrrolidin-1-yl-[3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: 1-pyrrolidinyl-[3-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: pyrrolidin-1-yl-[3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: pyrrolidino-[3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)C4CCSCC4

InChI

InChI=1S/C21H30N2O2S/c24-21(23-10-1-2-11-23)17-4-3-5-20(16-17)25-19-6-12-22(13-7-19)18-8-14-26-15-9-18/h3-5,16,18-19H,1-2,6-15H2/p+1