3-[1-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 1-pyrrolidin-1-yl-3-[1-[[5-[(2R)-tetrahydropyran-2-yl]-2-thienyl]methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 3-[1-[[5-[(2R)-2-oxanyl]-2-thiophenyl]methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 1-pyrrolidino-3-[1-[[5-[(2R)-tetrahydropyran-2-yl]-2-thienyl]methyl]piperidin-1-ium-4-yl]propan-1-one Formula: C22H35N2O2S+ MolecularWeight: 391.5905

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C2=CC=C(S2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4

Isomeric SMILES

C1CCO[C@H](C1)C2=CC=C(S2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4

InChI

InChI=1S/C22H34N2O2S/c25-22(24-12-2-3-13-24)9-6-18-10-14-23(15-11-18)17-19-7-8-21(27-19)20-5-1-4-16-26-20/h7-8,18,20H,1-6,9-17H2/p+1/t20-/m1/s1