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

Systemtic Name: pyrrolidin-1-yl-[4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: pyrrolidin-1-yl-[4-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: 1-pyrrolidinyl-[4-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: pyrrolidin-1-yl-[4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: pyrrolidino-[4-(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=C(C=C2)OC3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

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

InChI

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