3-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C19H35N3O2+2 MolecularWeight: 337.5001

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)OCCC[NH+](C)C

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)OCCC[NH+](C)C

InChI

InChI=1S/C19H33N3O2/c1-20(2)9-5-13-24-19-7-4-6-17(14-19)15-22-11-10-21(3)18(16-22)8-12-23/h4,6-7,14,18,23H,5,8-13,15-16H2,1-3H3/p+2/t18-/m0/s1