[4-methoxy-2-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-phenyl]-pyrrolidino-methanone Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)C4CCSCC4

InChI

InChI=1S/C22H32N2O3S/c1-26-19-4-5-20(22(25)24-10-2-3-11-24)21(16-19)27-18-6-12-23(13-7-18)17-8-14-28-15-9-17/h4-5,16-18H,2-3,6-15H2,1H3/p+1