2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-(3-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-(3-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-(3-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C17H23N3O/c1-19-7-8-20(13-16(19)6-9-21)12-14-10-15-4-2-3-5-17(15)18-11-14/h2-5,10-11,16,21H,6-9,12-13H2,1H3/p+1/t16-/m0/s1