2-[(2S)-1-(2,2-dimethylpropyl)-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(8-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-neopentyl-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCN(CC1CCO)CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H31N3O/c1-21(2,3)16-24-12-11-23(15-19(24)9-13-25)14-18-7-4-6-17-8-5-10-22-20(17)18/h4-8,10,19,25H,9,11-16H2,1-3H3/p+1/t19-/m0/s1