2-[4-[3-(3-methylimidazol-3-ium-1-yl)-2-oxidanyl-propyl]-1-(2-oxidanylbutyl)piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-methylimidazol-3-ium-1-yl)-2-oxidanyl-propyl]-1-(2-oxidanylbutyl)piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-hydroxybutyl)-4-[2-hydroxy-3-(3-methylimidazol-3-ium-1-yl)propyl]piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-(2-hydroxybutyl)-4-[2-hydroxy-3-(3-methyl-1-imidazol-3-iumyl)propyl]-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-(2-hydroxybutyl)-4-[2-hydroxy-3-(3-methylimidazol-3-ium-1-yl)propyl]piperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-hydroxybutyl)-4-[2-hydroxy-3-(3-methylimidazol-3-ium-1-yl)propyl]piperazin-1-ium-1-yl]acetic acid Formula: C17H32N4O4+2 MolecularWeight: 356.46038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+]1(CCN(CC1)CC(CN2C=C[N+](=C2)C)O)CC(=O)O)O

Isomeric SMILES

CCC(C[N+]1(CCN(CC1)CC(CN2C=C[N+](=C2)C)O)CC(=O)O)O

InChI

InChI=1S/C17H31N4O4/c1-3-15(22)12-21(13-17(24)25)8-6-19(7-9-21)10-16(23)11-20-5-4-18(2)14-20/h4-5,14-16,22-23H,3,6-13H2,1-2H3/q+1/p+1