1-[3-(1-hydroxyethyl)-4-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-1-methyl-pyrrolidin-1-ium-1-yl]-2,3-bis(oxidanyl)propan-1-one

Systemtic Name: 1-[3-(1-hydroxyethyl)-4-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-1-methyl-pyrrolidin-1-ium-1-yl]-2,3-bis(oxidanyl)propan-1-one Openeye Name: 2,3-dihydroxy-1-[3-(1-hydroxyethyl)-4-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-1-methyl-pyrrolidin-1-ium-1-yl]propan-1-one CAS Name: 2,3-dihydroxy-1-[3-(1-hydroxyethyl)-4-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-1-methyl-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 2,3-dihydroxy-1-[3-(1-hydroxyethyl)-4-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-1-methylpyrrolidin-1-ium-1-yl]propan-1-one Traditional Name: 2,3-dihydroxy-1-[3-(1-hydroxyethyl)-4-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-1-methyl-pyrrolidin-1-ium-1-yl]propan-1-one Formula: C26H32NO6+ MolecularWeight: 454.53538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C[N+](CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)(C)C(=O)C(CO)O)O

Isomeric SMILES

CC(C1C[N+](CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)(C)C(=O)C(CO)O)O

InChI

InChI=1S/C26H32NO6/c1-18(29)21-15-27(2,26(31)23(30)17-28)16-22(21)20-11-12-24(32-3)25(14-20)33-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,18,21-23,28-30H,13,15-17H2,1-3H3/q+1