3-[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-(4-ethoxy-3-methylol-benzyl)piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCCC3)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCCC3)CO

InChI

InChI=1S/C22H34N2O3/c1-2-27-21-9-7-19(14-20(21)17-25)16-23-11-5-6-18(15-23)8-10-22(26)24-12-3-4-13-24/h7,9,14,18,25H,2-6,8,10-13,15-17H2,1H3/p+1/t18-/m1/s1