(6R)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one

Systemtic Name: (6R)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Openeye Name: (6R)-4-[[5-(hydroxymethyl)-2-furyl]methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one CAS Name: (6R)-4-[[5-(hydroxymethyl)-2-furanyl]methyl]-1-(3-methoxyphenyl)-6-methyl-2-piperazin-4-iumone IUPAC Name: (6R)-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-4-ium-2-one Traditional Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-[(5-methylol-2-furyl)methyl]piperazin-4-ium-2-one Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CC=C(O3)CO

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CC=C(O3)CO

InChI

InChI=1S/C18H22N2O4/c1-13-9-19(10-16-6-7-17(12-21)24-16)11-18(22)20(13)14-4-3-5-15(8-14)23-2/h3-8,13,21H,9-12H2,1-2H3/p+1/t13-/m1/s1